SCHEMBL4867464

SCHEMBL4867464

Cc1cccc(-c2nn3ccccc3c2-c2cc(F)cc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
EGFR P00533 1/20 0.46
RAF1 P04049 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
GSK3B P49841 1/20 0.46
TGFBR1 P36897 15/20 0.43
THRB P10828 4/20 0.43
TGFBR2 P37173 4/20 0.39
GRM5 P41594 1/20 0.36
MAPK1 P28482 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
SCHEMBL4872814 0.92 MAPK14 (0.45) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4868119 0.89 MAPK14 (0.60) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4862130 0.86 TGFBR1 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4873701 0.86 AKT1 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4873746 0.83 TGFBR1 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4870968 0.82 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4865390 0.82 TGFBR1 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4868590 0.82 TGFBR1 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4865628 0.81 MAPK14 (0.44) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872159 0.81 TGFBR1 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A

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