SCHEMBL3835105

SCHEMBL3835105

NC(=O)c1ccc2c(=O)n(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ F10 P00742 6/20 0.32
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ MAPK8 P45983 1/20 0.30

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
SCHEMBL1640705 0.89 F10 (0.36) ROCK2PIM1PIM3F10F2
SCHEMBL3834826 0.85 F10 (0.34) F10F2
SCHEMBL3836616 0.85 MEN1 (0.34) F10
SCHEMBL3834640 0.85 MIF (0.33) F2PRSS1
SCHEMBL3839792 0.85 EGFR (0.34) F10MAPK8
SCHEMBL27777273 0.83 ROCK2 (0.42) ROCK2PIM1PIM3F10F2
SCHEMBL14273367 0.80 F10 (0.36) F10F2
SCHEMBL3837178 0.80 P2RY12 (0.40) F10
SCHEMBL12727585 0.78 F10 (0.38) F10F2
SCHEMBL1639790 0.76 F10 (0.35) F10F2PRSS1

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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