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Sugi Predict / Compounds / SCHEMBL4411693

SCHEMBL4411693

SCHEMBL4411693

CN(C)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 20/20 1.00
▸ CYP3A4 P08684 9/20 1.00

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
Hydrochloric Acid SCHEMBL4418918 0.99 PLA2G7 (0.99) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL4418346 0.95 PLA2G7 (0.99) PLA2G7CYP3A4
SCHEMBL4414210 0.94 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4419834 0.94 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4414064 0.93 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4416238 0.92 PLA2G7 (1.00) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL5867475 0.92 PLA2G7 (0.99) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL6878711 0.92 PLA2G7 (0.99) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL4551004 0.92 PLA2G7 (0.99) PLA2G7CYP3A4
SCHEMBL4414087 0.92 PLA2G7 (1.00) PLA2G7CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 — — EP claimed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 — — US claimed
EP-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 — — EP claimed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 — — EP 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-1479671-A1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2004-11-24 — — EP disclosed