SCHEMBL3836854

SCHEMBL3836854

COc1cc2ccn(-c3ccc(NC(C(=O)O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.36
▸ GRM1 Q13255 2/20 0.36
▸ MET P08581 9/20 0.36
▸ AXL P30530 2/20 0.36
▸ MST1R Q04912 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ PSMB2 P49721 1/20 0.33
▸ P2RY2 P41231 1/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ CFD P00746 1/20 0.31

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
SCHEMBL1639103 0.88 EGFR (0.35) EGFRGRM1METAXLMST1R
SCHEMBL3837178 0.87 P2RY12 (0.40) GRM1
SCHEMBL3839792 0.85 EGFR (0.34) EGFRGRM1TP53MAPT
SCHEMBL3836616 0.80 MEN1 (0.34) GRM1TP53MAPTP2RX3PDE4B
SCHEMBL3834826 0.80 F10 (0.34) —
SCHEMBL3835105 0.79 ROCK2 (0.36) —
SCHEMBL3834640 0.78 MIF (0.33) GRM1
SCHEMBL12727560 0.77 F10 (0.37) —
SCHEMBL1640707 0.76 F10 (0.36) GRM1
SCHEMBL1638830 0.75 P2RY12 (0.35) GRM1TP53

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
Send feedback