SCHEMBL4865628

SCHEMBL4865628

Cc1cccc(-c2nn3ccccc3c2-c2ccc(N)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
GSK3B P49841 1/20 0.44
TGFBR1 P36897 13/20 0.43
THRB P10828 5/20 0.43
AKT1 P31749 1/20 0.43
TGFBR2 P37173 1/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38

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 0.90 TGFBR1 (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4873701 0.90 AKT1 (0.46) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872159 0.88 TGFBR1 (0.55) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4868119 0.88 MAPK14 (0.60) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4870968 0.86 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4872629 0.85 THRB (0.56) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4874441 0.85 MAPK14 (0.43) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4867309 0.84 MAPK14 (0.47) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5235856 0.83 THRB (0.58) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL409322 0.82 TGFBR1 (0.42) 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