SCHEMBL3837178

SCHEMBL3837178

CNc1cc2ccn(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.40
▸ GRM1 Q13255 3/20 0.33
▸ F10 P00742 2/20 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
SCHEMBL1640707 0.88 F10 (0.36) P2RY12GRM1F10
SCHEMBL1638830 0.87 P2RY12 (0.35) P2RY12GRM1F10
SCHEMBL3836854 0.87 EGFR (0.36) GRM1
SCHEMBL3840108 0.85 P2RY12 (0.40) P2RY12GRM1F10
SCHEMBL3836616 0.81 MEN1 (0.34) GRM1F10
SCHEMBL3839792 0.81 EGFR (0.34) GRM1F10
SCHEMBL3834826 0.81 F10 (0.34) F10
SCHEMBL3835105 0.80 ROCK2 (0.36) F10
SCHEMBL3834640 0.79 MIF (0.33) GRM1
SCHEMBL12727560 0.78 F10 (0.37) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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