SCHEMBL6987967

SCHEMBL6987967

Nc1nc(-c2ccccn2)c(-c2ccnc(Nc3ccc(F)cc3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.52
TGFBR1 P36897 10/20 0.49
MAPK14 Q16539 3/20 0.45
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 2/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL6994944 0.91 TGFBR1 (0.51) MAPK10TGFBR1MAPK14MEN1NPC1
SCHEMBL6998890 0.88 TGFBR1 (0.55) TGFBR1MAPK14MEN1NPC1RAB9A
SCHEMBL413765 0.84 TGFBR1 (0.52) TGFBR1MAPK14MEN1NPC1RAB9A
SCHEMBL18230394 0.81 TGFBR1 (0.58) TGFBR1MAPK14MEN1KMT2A
SCHEMBL6994559 0.81 TGFBR1 (0.44) MAPK10TGFBR1MAPK14MEN1NPC1
SCHEMBL4036011 0.79 TGFBR1 (0.63) MAPK10TGFBR1MAPK14KCNH2MEN1
SCHEMBL7001195 0.79 KDR (0.46) MAPK10TGFBR1MAPK14MEN1KMT2A
SCHEMBL5956505 0.76 TGFBR1 (0.55) TGFBR1MAPK14MEN1KMT2A
SCHEMBL18236266 0.74 TGFBR1 (0.60) TGFBR1MAPK14MEN1NPC1RAB9A
SCHEMBL415611 0.73 TGFBR1 (0.52) TGFBR1MAPK14NPC1

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-1366047-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP claimed
WO-2002062793-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO claimed
EP-1366047-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-12-03 EP disclosed
WO-2002062793-A1 THIAZOLE COMPOUNDS AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed