SCHEMBL3973041

SCHEMBL3973041

Cc1cnc(Nc2cccc(N3CCN(C)CC3)c2)nc1-c1cc2c(s1)CCNC2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.59
CCNA2 P20248 16/20 0.59
CCNT1 O60563 15/20 0.59
CDK9 P50750 15/20 0.59
CDK1 P06493 8/20 0.54
CCNB1 P14635 8/20 0.54
CDK7 P50613 8/20 0.54
CCNH P51946 8/20 0.54
JAK2 O60674 2/20 0.51
JAK3 P52333 2/20 0.51
JAK1 P23458 1/20 0.51
CCNA1 P78396 5/20 0.47
AURKA O14965 1/20 0.46
BRD4 O60885 1/20 0.45

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
SCHEMBL13883885 0.83 TTK (0.47) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL13881589 0.82 CDK2 (0.58) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL3969755 0.82 JAK2 (0.70) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL4082156 0.80 CDK2 (0.54) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL3971207 0.79 CCNA2 (0.63) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL3968529 0.79 CDK2 (0.53) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL3965469 0.78 CDK2 (0.52) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL3973289 0.78 CDK2 (0.52) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL30648627 0.77 JAK2 (0.52) CDK2CCNA2CCNT1CDK9CDK1
SCHEMBL26640111 0.77 JAK2 (0.52) CDK2CCNA2CCNT1CDK9CDK1

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