SCHEMBL7010646

SCHEMBL7010646

CCCCCCCCCCc1cccc(-n2cc(Cc3cncnc3)c(=O)[nH]c2=S)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 10/20 0.39
DHFR P00374 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL7012920 0.88 PLA2G7 (0.44) PLA2G7
SCHEMBL7011218 0.88 PLA2G7 (0.44) PLA2G7
SCHEMBL7590302 0.85 DHFR (0.37) PLA2G7DHFRGPR84CETP
SCHEMBL7010055 0.83 PLA2G7 (0.47) PLA2G7TDP1L3MBTL1CNR1CNR2
SCHEMBL7012715 0.77 PLA2G7 (0.54) PLA2G7
SCHEMBL7007881 0.76 PLA2G7 (0.37) PLA2G7
SCHEMBL7010743 0.75 PLA2G7 (0.44) PLA2G7
SCHEMBL7006453 0.75 PLA2G7 (0.49) PLA2G7TDP1
SCHEMBL7004505 0.74 PLA2G7 (0.38) PLA2G7
SCHEMBL7014059 0.74 PLA2G7 (0.53) PLA2G7

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
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO disclosed