Molecular docking simulations to a panel of 10 cancer-associated protein targets found derivative 5 to have high affinity to BCL-2, CDK2, EGFR and VEGFR proteins, while derivative 3 exhibited favorable interactions with caspases 3, CDK6 and PARP-1; these compounds hence appear to be promising candidates as inhibitors of the proteins, which are therapeutically relevant apoptotic, cell cycle and growth factor regulators. The gene discussed is CASP3; the disease is cancer.