SCHEMBL4865571

SCHEMBL4865571

Cc1cccc(-c2nn3ccccc3c2-c2cccc(C(N)=O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
TGFBR1 P36897 19/20 0.44
KDR P35968 3/20 0.42
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
MAP4K4 O95819 1/20 0.42
ACVR1B P36896 1/20 0.42
TGFBR2 P37173 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
TGFB2 P61812 1/20 0.42
MAPK14 Q16539 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
COQ8A Q8NI60 1/20 0.42
TNIK Q9UKE5 1/20 0.42
RIPK3 Q9Y572 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
SCHEMBL4869215 0.89 TGFBR1 (0.42) TGFBR1TGFBR2
SCHEMBL4873701 0.84 AKT1 (0.46) TGFBR1TGFBR2MAPK14
SCHEMBL4872814 0.82 MAPK14 (0.45) TGFBR1TGFBR2MAPK14
SCHEMBL4873749 0.80 MAPK14 (0.44) TGFBR1MAPK14
SCHEMBL409443 0.80 TGFBR1 (0.57) TGFBR1KDRGAKRIPK2MAP4K4
SCHEMBL4865628 0.79 MAPK14 (0.44) TGFBR1TGFBR2MAPK14
SCHEMBL4872159 0.79 TGFBR1 (0.55) TGFBR1TGFBR2MAPK14
SCHEMBL4869284 0.79 MAPT (0.43) TGFBR1MAPK14
SCHEMBL4868607 0.79 PIM1 (0.42) TGFBR1TGFBR2
SCHEMBL4862130 0.79 TGFBR1 (0.53) 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