SCHEMBL7525539

SCHEMBL7525539

CCn1cc(Cc2cn(CC(=O)O)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.61
CYP3A4 P08684 1/20 0.57

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
SCHEMBL4552007 0.90 PLA2G7 (0.74) PLA2G7CYP3A4
SCHEMBL7576418 0.89 PLA2G7 (0.59) PLA2G7
SCHEMBL4412858 0.88 PLA2G7 (0.60) PLA2G7CYP3A4
SCHEMBL4413998 0.87 PLA2G7 (0.73) PLA2G7CYP3A4
SCHEMBL3540781 0.86 PLA2G7 (0.59) PLA2G7CYP3A4
SCHEMBL4416151 0.85 PLA2G7 (0.64) PLA2G7
SCHEMBL4552709 0.84 PLA2G7 (0.73) PLA2G7
SCHEMBL4415672 0.83 PLA2G7 (0.66) PLA2G7
SCHEMBL3537601 0.83 PLA2G7 (0.59) PLA2G7CYP3A4
SCHEMBL4415464 0.82 PLA2G7 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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