SCHEMBL6994559

SCHEMBL6994559

COc1ccc(Nc2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.44
AURKB Q96GD4 2/20 0.41
CDC7 O00311 1/20 0.41
AURKA O14965 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 1/20 0.40
PLK1 P53350 1/20 0.40
PTK2 Q05397 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK10 P53779 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
SCHEMBL6998890 0.87 TGFBR1 (0.55) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL6994944 0.82 TGFBR1 (0.51) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL6987967 0.81 MAPK10 (0.52) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL7001195 0.78 KDR (0.46) TGFBR1MEN1KMT2AKDRMAPK14
SCHEMBL450076 0.74 TGFBR1 (0.52) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL4036011 0.73 TGFBR1 (0.63) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL7371664 0.72 KDR (0.51) AURKBCDC7AURKANPC1RAB9A
SCHEMBL5956505 0.70 TGFBR1 (0.55) TGFBR1MEN1KMT2AMAPK14
SCHEMBL6834538 0.69 TGFBR1 (0.47) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL18236266 0.68 TGFBR1 (0.60) TGFBR1MEN1NPC1RAB9AKMT2A

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
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