SCHEMBL1447737

SCHEMBL1447737

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)n2)n1C(C)C

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.77
CDK1 P06493 7/20 0.77
KCNH2 Q12809 7/20 0.67

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
SCHEMBL1447857 0.93 CDK2 (0.79) CDK2CDK1KCNH2
SCHEMBL1447340 0.93 CDK2 (0.78) CDK2CDK1KCNH2
SCHEMBL1448457 0.92 CDK2 (0.77) CDK2CDK1KCNH2
SCHEMBL1447649 0.92 CDK2 (0.79) CDK2CDK1KCNH2
SCHEMBL1447753 0.91 CDK2 (0.73) CDK2CDK1KCNH2
SCHEMBL1448454 0.90 CDK2 (0.73) CDK2CDK1KCNH2
SCHEMBL1447018 0.88 CDK2 (0.76) CDK2CDK1KCNH2
SCHEMBL3549598 0.87 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1448230 0.87 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1448451 0.87 CDK2 (0.86) 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