SCHEMBL4874504

SCHEMBL4874504

c1ccc(-c2nn3ccccc3c2-c2ccnc3ccccc23)nc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.57
MAPK14 Q16539 13/20 0.57
THRB P10828 8/20 0.57
TGFBR2 P37173 1/20 0.47
ABL2 P42684 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47
BMP4 P12644 1/20 0.45
GRM4 Q14833 1/20 0.41

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
SCHEMBL14198369 0.86 TGFBR1 (0.46) TGFBR1MAPK14THRB
SCHEMBL4865502 0.86 TGFBR1 (0.61) TGFBR1MAPK14THRB
SCHEMBL4865369 0.85 TGFBR1 (0.45) TGFBR1MAPK14THRBTGFBR2BMP4
SCHEMBL4868241 0.85 TGFBR1 (0.53) TGFBR1MAPK14THRBTGFBR2BMP4
SCHEMBL4872102 0.85 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2CSNK1A1
SCHEMBL4865354 0.85 TGFBR1 (0.45) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4867319 0.84 TGFBR1 (0.48) TGFBR1MAPK14THRBTGFBR2GRM4
SCHEMBL411190 0.82 TGFBR1 (0.62) TGFBR1MAPK14THRBTGFBR2BMP4
SCHEMBL412729 0.82 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2GRM4
SCHEMBL411749 0.82 TGFBR1 (0.43) TGFBR1MAPK14THRBTGFBR2ABL2

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