SCHEMBL13986956

SCHEMBL13986956

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
PDE2A O00408 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 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

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
SCHEMBL13986992 0.90 ALDH1A1 (0.50) GSK3BALDH1A1MAPTMAPK1POLB
SCHEMBL13986977 0.89 ALDH1A1 (0.52) GSK3BALDH1A1MAPTPDE2AMAPK1
SCHEMBL13986933 0.89 ALDH1A1 (0.52) GSK3BALDH1A1MAPTPDE2AMAPK1
SCHEMBL13986931 0.89 ALDH1A1 (0.52) GSK3BALDH1A1MAPTPDE2AMAPK1
SCHEMBL13986985 0.89 GSK3B (0.58) GSK3BALDH1A1MAPTPDE2AMAPK1
SCHEMBL13986994 0.89 MAPK1 (0.56) GSK3BALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL13987009 0.87 GSK3B (0.54) GSK3BALDH1A1MAPTPDE2ASMN1; SMN2
SCHEMBL13986995 0.84 PDE2A (0.49) GSK3BALDH1A1MAPTPDE2AMAPK1
SCHEMBL13986991 0.81 ROCK1 (0.63) GSK3BMAPK1ROCK2RPS6KA5MAP4K4
SCHEMBL13986999 0.80 GSK3B (0.47) GSK3BALDH1A1MAPTPOLBROCK2

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