SCHEMBL14641603

SCHEMBL14641603

C=C1Oc2cc(CC(C)=O)ccc2N1Cc1cccc(-c2ncc(OCCCN(C)C)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.47
▸ CACNA1B Q00975 2/20 0.37
▸ CACNA1H O95180 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
▸ FAAH O00519 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ BCL2 P10415 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL14641600 0.83 MET (0.50) METCACNA1BCACNA1HROCK2CYP3A4
SCHEMBL14641559 0.81 MET (0.49) METCACNA1BCACNA1HSMN1; SMN2
SCHEMBL14641594 0.81 MET (0.49) METCACNA1BCACNA1HCYP3A4CYP2D6
SCHEMBL14641599 0.80 MET (0.42) METCACNA1BCACNA1HROCK2CYP3A4
SCHEMBL14641602 0.79 MET (0.49) METCACNA1BCACNA1HCYP2D6BCL2
SCHEMBL12241270 0.73 MET (0.50) MET
SCHEMBL14641768 0.73 MET (0.49) METCACNA1BFAAHPIK3CAPIK3CG
SCHEMBL13077318 0.72 MET (0.51) MET
SCHEMBL1301780 0.71 MET (0.56) METROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL12241080 0.71 MET (0.51) MET

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
Send feedback