SCHEMBL4872673

SCHEMBL4872673

COc1ccc(-c2c(-c3cccc(C)n3)nn3ccccc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
MAPK14 Q16539 4/20 0.41
THRB P10828 3/20 0.41
TGFBR1 P36897 14/20 0.40
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
GSK3B P49841 1/20 0.37
MAT2A P31153 1/20 0.37
MYC P01106 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TGFBR2 P37173 2/20 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
SCHEMBL4872629 0.84 THRB (0.56) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4869284 0.81 MAPT (0.43) MAPK14THRBTGFBR1L3MBTL1
SCHEMBL4862130 0.81 TGFBR1 (0.53) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4873701 0.81 AKT1 (0.46) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4873749 0.80 MAPK14 (0.44) MAPK14THRBTGFBR1ADORA2AADORA1
SCHEMBL4868119 0.79 MAPK14 (0.60) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4865628 0.79 MAPK14 (0.44) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4872159 0.79 TGFBR1 (0.55) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4870968 0.78 MAPK14 (0.57) MAPK14THRBTGFBR1EGFRRAF1
SCHEMBL4872814 0.77 MAPK14 (0.45) MAPK14THRBTGFBR1EGFRRAF1

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