SCHEMBL4425565

SCHEMBL4425565

CCOC(=O)CCCn1cc(Cc2cnn(C)c2)c(=O)[nH]c1=S

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 13/20 0.40
LMNA P02545 1/20 0.39
PLA2G7 Q13093 2/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARG Q86W56 1/20 0.35

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
SCHEMBL7006492 0.87 TNF (0.40) TNFLMNAPLA2G7KMT2ATDP1
SCHEMBL5867433 0.84 TNF (0.43) TNFLMNAPLA2G7
SCHEMBL7012983 0.83 EP300 (0.40) TNFLMNAPLA2G7
SCHEMBL4411686 0.82 L3MBTL1 (0.41) TNFLMNAPLA2G7TDP1
SCHEMBL7099070 0.80 TNF (0.41) TNFLMNAPLA2G7
SCHEMBL7093582 0.74 KMT2A (0.42) LMNAPLA2G7KMT2ATDP1
SCHEMBL4414205 0.71 PLA2G7 (0.72) PLA2G7
SCHEMBL4425561 0.71 TNF (0.40) TNFLMNA
SCHEMBL6133131 0.70 CYP4F2 (0.51) LMNAKMT2A
SCHEMBL7009479 0.69 PLA2G7 (0.40) PLA2G7KMT2ATDP1

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
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed