SCHEMBL13986931

SCHEMBL13986931

C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]c1=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
GSK3B P49841 3/20 0.48
MAPK1 P28482 6/20 0.46
MAPK3 P27361 1/20 0.46
PDE2A O00408 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43

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 1.00 ALDH1A1 (0.52) ALDH1A1MAPTGSK3BMAPK1MAPK3
SCHEMBL13986933 1.00 ALDH1A1 (0.52) ALDH1A1MAPTGSK3BMAPK1MAPK3
SCHEMBL13986992 0.90 ALDH1A1 (0.50) ALDH1A1MAPTGSK3BMAPK1MAPK3
SCHEMBL13986956 0.89 GSK3B (0.48) ALDH1A1MAPTGSK3BMAPK1PDE2A
SCHEMBL13986985 0.89 GSK3B (0.58) ALDH1A1MAPTGSK3BMAPK1PDE2A
SCHEMBL13986994 0.89 MAPK1 (0.56) ALDH1A1MAPTGSK3BMAPK1MAPK3
SCHEMBL13987009 0.87 GSK3B (0.54) ALDH1A1MAPTGSK3BMAPK1PDE2A
SCHEMBL13986934 0.86 MEN1 (0.60) ALDH1A1MAPTGSK3BMAPK1MAPK3
SCHEMBL13986978 0.84 GSK3B (0.48) MAPTGSK3BROCK2ROCK1PRKACA
SCHEMBL13986995 0.84 PDE2A (0.49) ALDH1A1MAPTGSK3BMAPK1MAPK3

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