SCHEMBL1447018

SCHEMBL1447018

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3)n2)n1C(C)C

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.76
CDK1 P06493 7/20 0.76
KCNH2 Q12809 7/20 0.63
CDK4 P11802 1/20 0.57
CDKL1 Q00532 1/20 0.57

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
SCHEMBL1448977 0.93 CDK2 (0.77) CDK2CDK1KCNH2CDK4
SCHEMBL1448257 0.92 CDK2 (0.76) CDK2CDK1KCNH2CDK4
SCHEMBL1447979 0.92 CDK2 (0.76) CDK2CDK1KCNH2CDK4
SCHEMBL1448454 0.91 CDK2 (0.73) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447873 0.90 CDK2 (0.72) CDK2CDK1KCNH2CDK4
SCHEMBL1448455 0.90 CDK2 (0.75) CDK2CDK1KCNH2CDK4
SCHEMBL1447649 0.89 CDK2 (0.79) CDK2CDK1KCNH2CDK4
SCHEMBL1447737 0.88 CDK2 (0.77) CDK2CDK1KCNH2
SCHEMBL1447753 0.87 CDK2 (0.73) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447767 0.87 CDK2 (0.78) CDK2CDK1KCNH2CDK4

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