SCHEMBL3960896

SCHEMBL3960896

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(-c2cccc(N3CCNCC3)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 11/20 0.46
CDK2 P24941 11/20 0.46
CCNT1 O60563 10/20 0.46
CDK9 P50750 10/20 0.46
CDK1 P06493 7/20 0.46
CCNB1 P14635 7/20 0.46
CDK7 P50613 7/20 0.46
CCNH P51946 7/20 0.46
CCNA1 P78396 5/20 0.40
AXL P30530 1/20 0.40
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
NUAK1 O60285 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL3969931 0.93 CCNT1 (0.45) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3965200 0.88 AXL (0.41) CDK1AXLBRD4JAK2BRD2
SCHEMBL3966826 0.88 AXL (0.53) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3966018 0.87 CCNT1 (0.42) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3969743 0.83 AXL (0.42) AXLBRD4JAK2JAK3
SCHEMBL3968736 0.83 JAK2 (0.44) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3966699 0.82 CDK9 (0.42) CCNA2CDK2CCNT1CDK9CDK1
SCHEMBL3968343 0.82 JAK2 (0.52) CDK9CDK7AXLCDK4FGFR1
SCHEMBL3971087 0.81 AXL (0.41) AXLBRD4JAK2JAK3
SCHEMBL3968635 0.81 AXL (0.39) CDK1AXLBRD4JAK2JAK3

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