SCHEMBL1448381

SCHEMBL1448381

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CC[C@@H](N(C)C)C4)c(F)c3)n2)n1C(C)C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.69
KCNH2 Q12809 7/20 0.69
CDK1 P06493 9/20 0.66
CDK4 P11802 1/20 0.66
CDKL1 Q00532 1/20 0.66

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
SCHEMBL1447545 0.89 CDK2 (0.82) CDK2KCNH2CDK1CDK4
SCHEMBL1447350 0.89 CDK2 (0.82) CDK2KCNH2CDK1CDK4
SCHEMBL1447616 0.88 CDK2 (0.83) CDK2KCNH2CDK1CDK4
SCHEMBL1447236 0.88 CDK2 (0.83) CDK2KCNH2CDK1CDK4
SCHEMBL1447182 0.88 CDK2 (0.83) CDK2KCNH2CDK1CDK4
SCHEMBL4247391 0.86 CDK2 (0.69) CDK2KCNH2CDK1CDK4
SCHEMBL1447609 0.85 CDK2 (0.75) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL1447688 0.84 KCNH2 (0.73) CDK2KCNH2CDK1CDK4CDKL1
SCHEMBL1448237 0.84 CDK2 (0.84) CDK2KCNH2CDK1CDK4
SCHEMBL3539230 0.83 CDK2 (0.54) CDK2KCNH2CDK1CDK4

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