<p>Globally, cancer burdens a crucial health of public challenge, representing a major contributor to morbidity and death despite significant advances in diagnosis and treatment. Compounds containing cyano (CN) group have become a crucial class of chemicals in contemporary cancer treatment because of their distinct chemical characteristics and substantial pharmacological potential. This strong electron-withdrawing CN group improves lipophilicity, molecular stability, and target binding affinity, all of which increase the anticancer effectiveness of several medications. There are some drugs got FDA approvals as CN containing agents as anticancer drugs. These drugs act through diverse mechanisms including inhibition of tyrosine kinases, suppression of hormone-dependent tumour growth, interference with DNA synthesis and repair. Additionally, CN-containing molecules have significant results in including apoptosis and inhibiting overall multidrug resistance in cancer cells. Additionally, preclinical research is currently investigating the action of CN-containing heterocyclic and small molecules against a variety of cancer types. Despite their therapeutic potential, issues including long-term safety and off-target consequences still need to be looked at. All things considered, CN-containing medications offer a useful and adaptable platform in cancer treatment, providing substantial chances for the future creation of more potent and focused anticancer therapies.</p> Graphical Abstract <p></p>