SCHEMBL3968529

SCHEMBL3968529

Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1cc2c(s1)CCN(C(=O)NC(C)(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.53
CCNA2 P20248 13/20 0.53
CCNT1 O60563 12/20 0.53
CDK9 P50750 12/20 0.53
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.49
JAK1 P23458 1/20 0.47
CCNA1 P78396 3/20 0.47
AURKA O14965 2/20 0.47
CDK1 P06493 5/20 0.46
CCNB1 P14635 5/20 0.46
CDK7 P50613 5/20 0.46
CCNH P51946 5/20 0.46
BRD4 O60885 2/20 0.46

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
SCHEMBL13881589 0.90 CDK2 (0.58) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL4082156 0.88 CDK2 (0.54) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL3965469 0.86 CDK2 (0.52) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL3973289 0.86 CDK2 (0.52) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL3969755 0.82 JAK2 (0.70) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL3973041 0.79 CDK2 (0.59) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL13883500 0.76 JAK2 (0.46) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL3971546 0.75 CDK2 (0.45) CDK2CCNA2CCNT1CDK9JAK2
SCHEMBL13883685 0.74 JAK2 (0.44) CDK2CCNA2JAK2JAK3JAK1
SCHEMBL13883690 0.74 JAK2 (0.43) CDK2CCNA2CCNT1CDK9JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed