SCHEMBL5381271

SCHEMBL5381271

CCCCCCc1nc(=O)cc(-c2ccncc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
GPR84 Q9NQS5 6/20 0.55
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CDC7 O00311 1/20 0.40

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
SCHEMBL5400093 1.00 GSK3B (0.56) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5376002 1.00 GSK3B (0.56) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5381257 0.99 GSK3B (0.58) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5386248 0.94 GSK3B (0.63) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5380512 0.89 GSK3B (0.51) GSK3BGPR84CDC7
SCHEMBL5399975 0.83 CDC7 (0.48) GSK3BCDC7
SCHEMBL5382469 0.82 GSK3B (0.49) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5387928 0.80 GSK3B (0.65) GSK3BCDC7
SCHEMBL5390451 0.79 GSK3B (0.45) GSK3BGPR84CTSVCTSLCDC7
SCHEMBL5376006 0.78 GSK3B (0.90) GSK3BGPR84CDC7

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-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