SCHEMBL13986992

SCHEMBL13986992

Cc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
GSK3B P49841 2/20 0.48
PHGDH O43175 1/20 0.45
MAPK1 P28482 5/20 0.45
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
AKT1 P31749 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3A P49840 1/20 0.44
RPS6KA3 P51812 1/20 0.44

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
SCHEMBL13986977 0.90 ALDH1A1 (0.52) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986956 0.90 GSK3B (0.48) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986933 0.90 ALDH1A1 (0.52) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986931 0.90 ALDH1A1 (0.52) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986985 0.90 GSK3B (0.58) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986994 0.90 MAPK1 (0.56) ALDH1A1MAPTGSK3BPHGDHMAPK1
SCHEMBL13987009 0.88 GSK3B (0.54) ALDH1A1MAPTGSK3BPHGDHMAPK1
SCHEMBL13986995 0.85 PDE2A (0.49) ALDH1A1MAPTGSK3BMAPK1ROCK2
SCHEMBL13986991 0.81 ROCK1 (0.63) GSK3BMAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL13986999 0.81 GSK3B (0.47) ALDH1A1MAPTGSK3BROCK2GSK3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed