SCHEMBL5696771

SCHEMBL5696771

COCCn1cnc2ccc(-c3c[nH]nc3-c3cccc(C)n3)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.46
TGFBR2 P37173 4/20 0.46
MAP3K20 Q9NYL2 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
STK26 Q9P289 1/20 0.35
STK24 Q9Y6E0 1/20 0.35

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
SCHEMBL5696719 0.88 TGFBR1 (0.45) TGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL5696812 0.85 TGFBR1 (0.55) TGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL5695786 0.81 TGFBR1 (0.46) TGFBR1TGFBR2MAP3K20MEN1KMT2A
SCHEMBL5695736 0.79 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20MEN1KMT2A
SCHEMBL3247927 0.77 TGFBR1 (0.46) TGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL3595502 0.77 TGFBR1 (0.41) TGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL5138726 0.75 TGFBR1 (0.53) TGFBR1TGFBR2MAP3K20
SCHEMBL5138951 0.74 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL29832794 0.73 TGFBR1 (0.58) TGFBR1TGFBR2MAPK14NPC1RAB9A
SCHEMBL5139942 0.73 TGFBR1 (0.58) TGFBR1TGFBR2MAPK14NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656367-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SmithKline Beecham Corporation (US) 2006-05-17 EP claimed
WO-2004111036-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO claimed
EP-1656367-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SmithKline Beecham Corporation (US) 2006-05-17 EP disclosed
WO-2004111036-A1 4- (HETEROCYCLYL- FUSED PHENYL)- 3- (PHENYL OR PYRID -2- YL) PYRAZOLES AS INHIBITORS OF THE ALK-5- RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO disclosed