SCHEMBL9900841

SCHEMBL9900841

Cc1nc(SCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C#N)c2)[nH]c(=O)c1Cc1cncnc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 0.48
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
AR P10275 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL9901291 0.93 PLA2G7 (0.40) PLA2G7KDM4ETSHRGFERAR
SCHEMBL9900524 0.92 PLA2G7 (0.43) PLA2G7KDM4ETSHRGFERAR
SCHEMBL9900537 0.88 MEN1 (0.46) PLA2G7KDM4ETSHRGFER
SCHEMBL9900408 0.87 PLA2G7 (0.56) PLA2G7AR
SCHEMBL9900977 0.85 PLA2G7 (0.43) PLA2G7AR
SCHEMBL9900226 0.84 SLC22A12 (0.41) PLA2G7KDM4ETSHRGFERAR
SCHEMBL9900797 0.83 MEN1 (0.39) PLA2G7KDM4ETSHRGFERGAA
SCHEMBL9900816 0.83 PLA2G7 (0.47) PLA2G7AR
SCHEMBL9107469 0.82 PLA2G7 (0.49) PLA2G7AR
SCHEMBL9900710 0.81 PLA2G7 (0.47) PLA2G7AR

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-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed