SCHEMBL5658993

SCHEMBL5658993

C[C@@H](Nc1nccc(-c2cc(C(=O)NCCCc3cccnc3)c(=O)[nH]n2)n1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
TBXAS1 P24557 5/20 0.41
EPHX2 P34913 1/20 0.41
HTR7 P34969 1/20 0.41
PTAFR P25105 4/20 0.40
MCL1 Q07820 1/20 0.40
KCNA5 P22460 1/20 0.39
IDH1 O75874 1/20 0.39
CAMK2D Q13557 1/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL5658190 0.94 GSK3B (0.62) GSK3BEPHX2HTR7MCL1CAMK2D
SCHEMBL5243802 0.87 GSK3B (0.55) GSK3BTBXAS1EPHX2HTR7PTAFR
SCHEMBL4855915 0.87 GSK3B (0.62) GSK3BMCL1IDH1CAMK2DMAPK14
SCHEMBL5233303 0.87 GSK3B (0.62) GSK3BMCL1IDH1CAMK2DMAPK14
SCHEMBL13987027 0.84 GSK3B (1.00) GSK3BEPHX2PTAFR
SCHEMBL4847379 0.80 GSK3B (0.49) GSK3BIDH1CAMK2DMAPK14
SCHEMBL4847382 0.80 GSK3B (0.49) GSK3BIDH1CAMK2DMAPK14
SCHEMBL4848243 0.80 CAMK2D (0.47) IDH1CAMK2DMAPK14
SCHEMBL4848233 0.80 CAMK2D (0.47) IDH1CAMK2DMAPK14
SCHEMBL13987029 0.77 GSK3B (0.65) GSK3BCACNA1BAPBA1

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 5 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
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed