SCHEMBL4873744

SCHEMBL4873744

Cc1cccc(-c2nn3ccccc3c2-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.42
BRD4 O60885 1/20 0.40
TGFBR2 P37173 2/20 0.40
MAP3K20 Q9NYL2 2/20 0.40
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
GSK3B P49841 1/20 0.37
MAPK14 Q16539 1/20 0.37
BRAF P15056 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4862130 0.81 TGFBR1 (0.53) TGFBR1TGFBR2L3MBTL1THRBADORA2A
SCHEMBL4873701 0.80 AKT1 (0.46) TGFBR1TGFBR2THRBADORA2AADORA1
SCHEMBL4872814 0.79 MAPK14 (0.45) TGFBR1TGFBR2MAP3K20THRBADORA2A
SCHEMBL4868119 0.78 MAPK14 (0.60) TGFBR1TGFBR2THRBADORA2AADORA1
SCHEMBL4872159 0.78 TGFBR1 (0.55) TGFBR1TGFBR2THRBADORA2AADORA1
SCHEMBL4865628 0.78 MAPK14 (0.44) TGFBR1TGFBR2NPC1THRBADORA2A
SCHEMBL412069 0.78 TGFBR1 (0.42) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4869284 0.78 MAPT (0.43) TGFBR1NPC1L3MBTL1THRBMAPK14
SCHEMBL4867464 0.78 MAPK14 (0.46) TGFBR1TGFBR2THRBADORA2AADORA1
SCHEMBL4865571 0.77 BAZ2B (0.44) TGFBR1TGFBR2MAPK14

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
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed