SCHEMBL1448611

SCHEMBL1448611

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)c(Cl)c3)n2)n1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.64
CDK1 P06493 6/20 0.62
KCNH2 Q12809 8/20 0.61
CDK4 P11802 3/20 0.60
CDKL1 Q00532 1/20 0.60
CCNT1 O60563 1/20 0.53
CCNB1 P14635 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CCNA2 P20248 1/20 0.53
CCND1 P24385 1/20 0.53
CCNE1 P24864 1/20 0.53
CCND3 P30281 1/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53

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
SCHEMBL29431926 0.97 CDK2 (0.61) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448376 0.97 CDK2 (0.61) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1446871 0.93 CDK2 (0.67) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447605 0.91 CDK2 (0.75) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447688 0.90 KCNH2 (0.73) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448629 0.89 CDK2 (0.63) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448354 0.89 CDK2 (0.62) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447419 0.88 CDK2 (0.61) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1448097 0.88 CDK2 (0.71) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447436 0.87 KCNH2 (0.69) CDK2CDK1KCNH2CDK4CDKL1

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