SCHEMBL14641592

SCHEMBL14641592

C=C1Cc2ccc(C(=O)O)nc2N1Cc1cccc(-c2ncc(OCCCN(C)C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.47
▸ FAAH O00519 2/20 0.40
▸ BCL2 P10415 3/20 0.38
▸ USP1 O94782 1/20 0.37
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL14641768 0.81 MET (0.49) METFAAHBCL2USP1PIK3CA
SCHEMBL12241267 0.76 MET (0.49) METFAAHBCL2USP1
SCHEMBL14641766 0.73 MET (0.51) METFAAHBCL2USP1ROCK2
SCHEMBL14641598 0.72 MET (0.57) METFAAHUSP1
SCHEMBL3740603 0.72 MET (0.52) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL1317047 0.71 MET (0.70) MET
SCHEMBL1301780 0.71 MET (0.56) METROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL14641603 0.71 MET (0.47) METFAAHBCL2ROCK2CYP3A4
SCHEMBL14641587 0.70 USP1 (0.41) METUSP1
SCHEMBL14641600 0.70 MET (0.50) METFAAHBCL2ROCK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 — — EP disclosed
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