SCHEMBL6947323

SCHEMBL6947323

CCOC(=O)CC(c1cnc(=O)[nH]c1)c1cn(C)c(SCc2ccc(F)cc2)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 18/20 0.43
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.35
PKM P14618 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
SCHEMBL6949746 0.90 PLA2G7 (0.47) PLA2G7PKM
SCHEMBL6943908 0.90 PLA2G7 (0.49) PLA2G7
SCHEMBL4552809 0.86 PLA2G7 (0.48) PLA2G7CYP3A4CYP2D6
SCHEMBL6951481 0.85 PLA2G7 (0.44) PLA2G7
SCHEMBL6947739 0.84 PLA2G7 (0.52) PLA2G7
SCHEMBL6949723 0.84 PLA2G7 (0.51) PLA2G7
SCHEMBL6947762 0.84 PLA2G7 (0.51) PLA2G7
SCHEMBL6954061 0.84 PLA2G7 (0.57) PLA2G7
SCHEMBL6952856 0.84 PLA2G7 (0.57) PLA2G7
SCHEMBL7008378 0.83 PLA2G7 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105377-B1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-10-08 EP claimed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US claimed
EP-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP claimed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO claimed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US disclosed