SCHEMBL3966699

SCHEMBL3966699

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 6/20 0.42
CCNT1 O60563 5/20 0.42
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CDK7 P50613 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 2/20 0.42
CCNH P51946 2/20 0.42
JAK2 O60674 5/20 0.41
JAK3 P52333 5/20 0.41
BRD4 O60885 3/20 0.41
AXL P30530 2/20 0.41
BRDT Q58F21 2/20 0.41
SRC P12931 2/20 0.41
IGF1R P08069 2/20 0.41
KDR P35968 2/20 0.41
YES1 P07947 2/20 0.41
PDGFRB P09619 2/20 0.41
EPHB4 P54760 2/20 0.41
FGFR4 P22455 2/20 0.41

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 0.88 CCNT1 (0.45) CDK9CCNT1CCNA2CDK2CDK7
SCHEMBL13881458 0.88 SRC (0.53) CDK9CCNT1CCNA2CDK2CDK7
SCHEMBL3968736 0.88 JAK2 (0.44) CDK9CCNT1CCNA2CDK2CDK7
SCHEMBL3968343 0.86 JAK2 (0.52) CDK9CDK7JAK2JAK3BRD4
SCHEMBL3965200 0.84 AXL (0.41) CDK1JAK2JAK3BRD4AXL
SCHEMBL3966018 0.82 CCNT1 (0.42) CDK9CCNT1CCNA2CDK2CDK7
SCHEMBL3960896 0.82 CCNA2 (0.46) CDK9CCNT1CCNA2CDK2CDK7
SCHEMBL3969743 0.80 AXL (0.42) JAK2JAK3BRD4AXLYES1
SCHEMBL3968635 0.79 AXL (0.39) CDK1JAK2JAK3BRD4AXL
SCHEMBL3966066 0.78 AXL (0.41) CDK9CDK7JAK2JAK3BRD4

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