SCHEMBL4872835

SCHEMBL4872835

c1ccc(Cc2ccn3nc(-c4ccccn4)c(-c4ccnc5ccccc45)c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.52
MAPK14 Q16539 9/20 0.52
THRB P10828 5/20 0.48
TGFBR2 P37173 1/20 0.40
ABL2 P42684 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
MCL1 Q07820 2/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL4868066 0.89 TGFBR1 (0.41) TGFBR1MAPK14THRBTGFBR2
SCHEMBL413055 0.83 TGFBR1 (0.44) TGFBR1MAPK14THRB
SCHEMBL5236790 0.82 TGFBR1 (0.45) TGFBR1TGFBR2
SCHEMBL4872219 0.82 TGFBR1 (0.51) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4874504 0.81 TGFBR1 (0.57) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4869104 0.78 TGFBR1 (0.47) TGFBR1MAPK14THRBTGFBR2CSNK1A1
SCHEMBL413214 0.77 TGFBR1 (0.50) TGFBR1MAPK14THRB
SCHEMBL4868582 0.76 MEN1 (0.46) TGFBR1MAPK14THRB
SCHEMBL5233037 0.74 TGFBR1 (0.45) TGFBR1MAPK14THRBGRM4
SCHEMBL412610 0.73 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2CSNK1A1

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