SCHEMBL4870968

SCHEMBL4870968

Cc1cccc(-c2nn3ccccc3c2-c2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.57
EGFR P00533 1/20 0.57
RAF1 P04049 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
ADORA1 P30542 1/20 0.57
GSK3B P49841 1/20 0.57
TGFBR1 P36897 15/20 0.52
TGFBR2 P37173 5/20 0.50
THRB P10828 3/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 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
SCHEMBL4873701 0.91 AKT1 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4862130 0.88 TGFBR1 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872159 0.86 TGFBR1 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4865628 0.86 MAPK14 (0.44) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4868119 0.86 MAPK14 (0.60) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4867309 0.85 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872629 0.84 THRB (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4874441 0.84 MAPK14 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4867464 0.82 MAPK14 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5235856 0.82 THRB (0.58) 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