SCHEMBL4873701

SCHEMBL4873701

Cc1cccc(-c2nn3ccccc3c2-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
MAPK14 Q16539 4/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
GSK3B P49841 1/20 0.45
TGFBR1 P36897 11/20 0.43
THRB P10828 5/20 0.43
MAPK1 P28482 2/20 0.42
TGFBR2 P37173 2/20 0.42
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
IGF1R P08069 2/20 0.40
MAPK3 P27361 1/20 0.40

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
SCHEMBL4862130 0.92 TGFBR1 (0.53) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4870968 0.91 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872159 0.90 TGFBR1 (0.55) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4868119 0.90 MAPK14 (0.60) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4865628 0.90 MAPK14 (0.44) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4872629 0.87 THRB (0.56) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4872814 0.87 MAPK14 (0.45) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4874441 0.87 MAPK14 (0.43) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4867309 0.86 MAPK14 (0.47) AKT1MAPK14EGFRRAF1ADORA3
SCHEMBL4867464 0.86 MAPK14 (0.46) 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