SCHEMBL5383553

SCHEMBL5383553

Cc1cccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.72
XDH P47989 1/20 0.58
MAPK14 Q16539 8/20 0.52
CSNK1D P48730 4/20 0.52
CSNK1E P49674 4/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 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
SCHEMBL5380569 0.84 GSK3B (0.73) GSK3BMAPK14CSNK1DNPC1RAB9A
SCHEMBL5381549 0.84 GSK3B (1.00) GSK3BXDHMAPK14
SCHEMBL5377580 0.83 GSK3B (0.87) GSK3BXDHCSNK1D
SCHEMBL7391408 0.83 GSK3B (0.72) GSK3BXDHNPC1RAB9AKMT2A
SCHEMBL5392045 0.83 GSK3B (0.72) GSK3BXDHMAPK14CSNK1DNPC1
SCHEMBL5391583 0.83 GSK3B (0.67) GSK3BMAPK14NPC1RAB9A
SCHEMBL5388178 0.80 GSK3B (0.67) GSK3BXDHMAPK14
SCHEMBL5376063 0.80 GSK3B (0.76) GSK3BNPC1RAB9AKMT2A
SCHEMBL5386532 0.80 GSK3B (0.62) GSK3BMAPK14NPC1RAB9A
Hydrochloric Acid SCHEMBL5386672 0.79 GSK3B (0.61) GSK3BXDHMAPK14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP claimed
CN-1328552-A Pyrimidone derivatives MITSUBISHI CHEM CORP (JP) 2001-12-26 CN claimed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP claimed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO claimed
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed