SCHEMBL13986959

SCHEMBL13986959

COc1cccc(CCNC(=O)c2cc(-c3ccncc3)n[nH]c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ROCK1 Q13464 7/20 0.52
ROCK2 O75116 6/20 0.52
PARP1 P09874 1/20 0.51
GSK3B P49841 2/20 0.50
PRKACA P17612 2/20 0.50
PRKX P51817 2/20 0.50
PRKCQ Q04759 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
GSK3A P49840 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
GAA P10253 1/20 0.49
TACR3 P29371 1/20 0.49
TP53 P04637 1/20 0.49
AURKA O14965 1/20 0.48
GRK5 P34947 1/20 0.48

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
SCHEMBL13986962 0.89 CYP1A2 (0.55) MAPTPARP1GSK3BCYP3A4CYP2D6
SCHEMBL13986982 0.88 ROCK1 (0.52) MAPTROCK1ROCK2PARP1GSK3B
SCHEMBL13986960 0.86 GSK3B (0.53) MAPTROCK1ROCK2PARP1GSK3B
SCHEMBL13986984 0.85 GSK3B (0.63) MAPTROCK1ROCK2PARP1GSK3B
SCHEMBL13987003 0.85 GSK3B (0.52) MAPTPARP1GSK3BGAATP53
SCHEMBL13986946 0.83 MAPT (0.52) MAPTGSK3BGAATP53
SCHEMBL13986947 0.83 GSK3B (0.56) MAPTPARP1GSK3BGAATP53
SCHEMBL13986981 0.83 GSK3B (0.52) MAPTROCK1ROCK2PARP1GSK3B
SCHEMBL13986958 0.82 LMNA (0.62) MAPTROCK1ROCK2PARP1GSK3B
SCHEMBL13986950 0.81 GSK3B (0.59) GSK3BGSK3A

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