SCHEMBL13987010

SCHEMBL13987010

CC(C)c1cccc(OCCNC(=O)c2cc(-c3ccncc3)n[nH]c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.48
ROCK1 Q13464 5/20 0.46
ROCK2 O75116 5/20 0.46
PRKG1 Q13976 2/20 0.46
DYRK3 O43781 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
AKT2 P31751 1/20 0.46
GSK3A P49840 1/20 0.46
IRAK1 P51617 1/20 0.46
PRKX P51817 1/20 0.46
CDK5 Q00535 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKG2 Q13237 1/20 0.46
PKN2 Q16513 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
SGK2 Q9HBY8 1/20 0.46

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
SCHEMBL13986964 0.86 MAPK1 (0.58) GSK3BMAPK1TSHRMEN1KMT2A
SCHEMBL13986997 0.81 GSK3B (0.58) GSK3BGSK3AMAPK1TSHRMEN1
SCHEMBL13986950 0.81 GSK3B (0.59) GSK3BGSK3AMEN1KMT2AHDAC3
SCHEMBL13986949 0.78 GSK3B (0.56) GSK3BGSK3AMAPK1HDAC3HDAC4
SCHEMBL13986955 0.78 GSK3B (0.58) GSK3BGSK3AKMT2AHDAC3HDAC4
SCHEMBL13986991 0.77 ROCK1 (0.63) GSK3BROCK1ROCK2PRKG1DYRK3
SCHEMBL13987011 0.77 GSK3B (0.51) GSK3BMAPK1MEN1KMT2AHDAC3
SCHEMBL4851367 0.77 GSK3B (0.61) GSK3BGSK3AMAPK1MEN1KMT2A
SCHEMBL13986959 0.77 MAPT (0.54) GSK3BROCK1ROCK2PRKACAGSK3A
SCHEMBL14348311 0.76 ROCK1 (0.53) GSK3BROCK1ROCK2PRKG1PRKACA

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