SCHEMBL13986935

SCHEMBL13986935

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
POLB P06746 1/20 0.53
SLC6A12 P48065 2/20 0.53
WNT1 P04628 1/20 0.52
DYRK1A Q13627 1/20 0.52
DRD4 P21917 1/20 0.52
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL13987024 0.87 ACHE (0.56)
SCHEMBL5232508 0.84 MAPK8 (0.55) WNT1DYRK1AROCK2
SCHEMBL13986942 0.83 GSK3B (0.48) WNT1DYRK1AROCK2
SCHEMBL5233639 0.81 GSK3B (0.52) WNT1DYRK1AROCK2ROCK1
SCHEMBL5236116 0.81 GSK3B (0.52) DYRK1AROCK2ROCK1
SCHEMBL4848283 0.81 GSK3B (0.51) WNT1DYRK1AROCK2ROCK1
SCHEMBL13986936 0.80 MAPK8 (0.51) POLBDYRK1AROCK2
SCHEMBL4853516 0.79 ALDH1A1 (0.52)
SCHEMBL13986968 0.79 MAPK8 (0.50) DYRK1AROCK2
SCHEMBL4854577 0.79 GSK3B (0.49) WNT1DYRK1AROCK2ROCK1

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