SCHEMBL4423260

SCHEMBL4423260

CN(C)c1ncc(Cc2c[nH]c(=S)[nH]c2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM3B Q7LBC6 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7523746 0.84 KMT2A (0.47) KMT2ATDP1KDM3B
SCHEMBL7473859 0.81 KMT2A (0.38) KMT2ATDP1
SCHEMBL4418371 0.81 KMT2A (0.44) KMT2ATDP1KDM3B
SCHEMBL4415229 0.78 PLA2G7 (0.43) KMT2ATDP1KDM3B
SCHEMBL7011359 0.78 KMT2A (0.44) KMT2ATDP1
SCHEMBL7008420 0.73 DPYD (0.51) KMT2ATDP1
SCHEMBL4420092 0.72 POLB (0.40) KMT2ATDP1CYP1A2MEN1
SCHEMBL11450005 0.72 KMT2A (0.49) KMT2ATDP1NPSR1
SCHEMBL7010634 0.72 PNP (0.51) KMT2ATDP1
SCHEMBL7013001 0.71 PDE10A (0.48)

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