SCHEMBL4865520

SCHEMBL4865520

c1ccc(-c2nn3ccccc3c2-c2ccncc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.63
EGFR P00533 1/20 0.63
RAF1 P04049 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
ADORA2A P29274 1/20 0.63
ADORA2B P29275 1/20 0.63
ADORA1 P30542 1/20 0.63
GSK3B P49841 1/20 0.63
TGFBR1 P36897 7/20 0.49
TGFBR2 P37173 3/20 0.47
AKT1 P31749 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4873558 0.86 MAPK14 (0.67) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL8810466 0.82 MAPK14 (0.78) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4870968 0.81 MAPK14 (0.57) MAPK14EGFRRAF1ADORA3ADORA2A
Gw434756X SCHEMBL5385166 0.77 MAPK14 (1.00) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL5234207 0.76 TGFBR1 (0.42) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL13382192 0.76 MAPK9 (0.42) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL3278407 0.76 ADCY10 (0.41) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL4874504 0.75 TGFBR1 (0.57) MAPK14TGFBR1TGFBR2THRBCSNK1A1
SCHEMBL13382190 0.74 ADCY10 (0.45) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL13382202 0.73 MAPK9 (0.38) 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