SCHEMBL4411686

SCHEMBL4411686

CCOC(=O)CCCn1cc(Cc2cnc(N3CCOCC3)nc2)c(=O)[nH]c1=S

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKT1 P31749 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TNF P01375 4/20 0.35
PLA2G7 Q13093 1/20 0.35
LMNA P02545 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
SCHEMBL5867433 0.84 TNF (0.43) TNFPLA2G7LMNA
SCHEMBL7006492 0.82 TNF (0.40) TDP1TNFPLA2G7LMNA
SCHEMBL4425565 0.82 TNF (0.40) TDP1TNFPLA2G7LMNA
SCHEMBL7012983 0.79 EP300 (0.40) TNFPLA2G7LMNA
SCHEMBL4415720 0.75 PLA2G7 (0.62) PLA2G7
SCHEMBL7099070 0.75 TNF (0.41) TNFPLA2G7LMNA
SCHEMBL4416303 0.74 POLB (0.51) L3MBTL1ABL1RIN1TDP1AKT1
SCHEMBL7093582 0.70 KMT2A (0.42) L3MBTL1TDP1POLBRAB9APLA2G7
SCHEMBL7009479 0.70 PLA2G7 (0.40) TDP1GAAPLA2G7
SCHEMBL6946487 0.70 KMT2A (0.38) TDP1GAAPLA2G7

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 3 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