SCHEMBL3969931

SCHEMBL3969931

Cc1cnc(Nc2ccc(OCCC3CCCN3)cc2)nc1-c1ccc(-c2cccc(N3CCOCC3)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.45
CDK2 P24941 6/20 0.45
CDK9 P50750 6/20 0.45
CCNA2 P20248 5/20 0.45
JAK2 O60674 8/20 0.44
JAK3 P52333 7/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
STAT3 P40763 1/20 0.40
CDK1 P06493 4/20 0.39
CCNB1 P14635 3/20 0.39
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
AXL P30530 1/20 0.39
CCNA1 P78396 1/20 0.39
CCNE1 P24864 1/20 0.39
KDR P35968 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL3966018 0.94 CCNT1 (0.42) CCNT1CDK2CDK9CCNA2JAK2
SCHEMBL3960896 0.93 CCNA2 (0.46) CCNT1CDK2CDK9CCNA2JAK2
SCHEMBL3966699 0.88 CDK9 (0.42) CCNT1CDK2CDK9CCNA2JAK2
SCHEMBL3965200 0.87 AXL (0.41) JAK2JAK3CHRNB2CHRNA4JAK1
SCHEMBL13881451 0.87 AXL (0.53) CCNT1CDK2CDK9CCNA2JAK2
SCHEMBL3969743 0.82 AXL (0.42) JAK2JAK3CHRNB2CHRNA4JAK1
SCHEMBL3968736 0.82 JAK2 (0.44) CCNT1CDK2CDK9CCNA2JAK2
SCHEMBL3968635 0.81 AXL (0.39) JAK2JAK3JAK1TYK2CDK1
SCHEMBL3968343 0.81 JAK2 (0.52) CDK9JAK2JAK3JAK1TYK2
SCHEMBL3966826 0.81 AXL (0.53) CCNT1CDK2CDK9CCNA2JAK2

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