SCHEMBL3968313

SCHEMBL3968313

Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1-c1cc(C)c(C#N)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.57
JAK3 P52333 4/20 0.57
JAK1 P23458 2/20 0.57
TYK2 P29597 2/20 0.57
STAT3 P40763 2/20 0.57
BRD4 O60885 10/20 0.52
CCNT1 O60563 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CDK9 P50750 2/20 0.49
PIK3CD O00329 1/20 0.49
PRKAB2 O43741 1/20 0.49
NUAK1 O60285 1/20 0.49
ABL1 P00519 1/20 0.49
FYN P06241 1/20 0.49
CDK1 P06493 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
FGFR1 P11362 1/20 0.49

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
SCHEMBL3971207 0.90 CCNA2 (0.63) JAK2JAK3JAK1BRD4CCNT1
SCHEMBL3971567 0.83 JAK2 (0.52) JAK2JAK3JAK1TYK2STAT3
SCHEMBL3975589 0.83 TTK (0.58) JAK2JAK3JAK1BRD4FLT3
SCHEMBL3967354 0.82 CCNA2 (0.53) JAK2JAK3JAK1TYK2STAT3
SCHEMBL3965904 0.81 TNK2 (0.54) JAK2JAK3JAK1TYK2STAT3
SCHEMBL28322773 0.76 BRD4 (0.56) JAK2JAK3JAK1TYK2STAT3
SCHEMBL3971558 0.73 TTK (0.47) JAK2JAK3JAK1BRD4CCNT1
SCHEMBL30620425 0.73 CDK4 (0.67) JAK2BRD4CCNA2CDK2CDK9
SCHEMBL270386 0.73 CDK4 (0.67) JAK2BRD4CCNA2CDK2CDK9
SCHEMBL12278146 0.72 BRD4 (0.68) JAK2BRD4CCNA2CDK2CDK9

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