New coordination compounds of some selected metal ions from the first and second transition metals series with a Schiff base were synthesized and characterized. The Schiff base is derived from 4‐Aminoantipyrine and 3‐(hydroxyimino) butan‐2‐one. The compounds were characterized by different analysis tools like; elemental analysis, mass spectra, Fourier transform infrared (FTIR) as well as electronic spectra, magnetic measurements, molar conductance and thermal analysis technique. All complexes were formed with 1:1 (metal: ligand) stoichiometry except Mn (II) where 1:2 (Mn: ligand) is formed. Schiff base ligand interacted as a tridentate ligand by using the nitrogen atoms of the imine and the oximato groups and the carbonyl oxygen atom as donor groups with all studied metal ions except copper (II) and manganese (II) where the carbonyl oxygen is not shared in the coordination. These complexes show various physicochemical properties. X‐ray powder diffraction shows different crystal systems; Cd (II) complex: hexagonal, Cu (II) complex: orthorhombic; and [Ni (II), Mn (II), Rh (III) & Pd (II)] complexes: monoclinic.All compounds showed potent cytotoxicity against the growth of human liver cancer cell lines. The square planar Pd (II) complex was more active than those of octahedral geometries of all other synthesized complexes. Cd (II) complex has the highest microbial growth inhibition than the rest of the prepared complexes. The docking active sites interactions were evaluated using the selected proteins EGFR tyrosine kinase and protein crystal structure of GlcN‐O‐P synthase. in vitro antioxidant assay revealed potent free radical scavenging activity of the three synthesized Cu (II), Pd (II) and Rh (III) complexes that exceeded the standard ascorbic acid. Pd (II) complex shows the most significant inhibition denaturation percent.