SCHEMBL1447952

SCHEMBL1447952

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCC(N(C)C)CC4)cc3)n2)n1C(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.78
CDK1 P06493 8/20 0.78
KCNH2 Q12809 5/20 0.69
IKBKB O14920 1/20 0.59
CHUK O15111 1/20 0.59
IKBKG Q9Y6K9 1/20 0.59
CCNT1 O60563 1/20 0.57
CDK4 P11802 1/20 0.57
CCNB1 P14635 1/20 0.57
CSNK2A2 P19784 1/20 0.57
CCNA2 P20248 1/20 0.57
CCND1 P24385 1/20 0.57
CCNE1 P24864 1/20 0.57
CCND3 P30281 1/20 0.57
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
CSNK1A1 P48729 1/20 0.57
CSNK1D P48730 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 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
SCHEMBL1447616 0.95 CDK2 (0.83) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447236 0.95 CDK2 (0.83) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447182 0.95 CDK2 (0.83) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447954 0.91 CDK2 (0.80) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1448494 0.88 CDK2 (0.77) CDK2CDK1KCNH2IKBKBCHUK
SCHEMBL1447682 0.88 CDK2 (1.00) CDK2CDK1KCNH2CDK4
SCHEMBL1447139 0.87 CDK2 (0.75) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447627 0.87 CDK2 (0.81) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1448907 0.87 CDK2 (0.81) CDK2CDK1KCNH2CCNT1CDK4
SCHEMBL1447874 0.87 CDK2 (0.81) CDK2CDK1KCNH2CCNT1CDK4

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