SCHEMBL1447223

SCHEMBL1447223

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)ncc2Cl)n1C(C)C

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.83
CDK1 P06493 11/20 0.83
KCNH2 Q12809 6/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1447542 1.00 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL4249758 0.91 CDK2 (0.68) CDK2CDK1KCNH2
SCHEMBL1447395 0.91 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447982 0.91 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447687 0.88 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1448480 0.88 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1447616 0.85 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1447182 0.85 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1447236 0.85 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1448763 0.84 CDK2 (0.81) CDK2CDK1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed