SCHEMBL13981975

SCHEMBL13981975

COC(=O)c1ccc2c(c1)N(Cc1cccc(-c3ncc(OCC4CCN(C)CC4)cn3)c1)C(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.51
▸ NQO2 P16083 1/20 0.51
▸ GSK3B P49841 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AVPR1B P47901 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TGM2 P21980 1/20 0.36
▸ CHRM3 P20309 1/20 0.35
▸ KCNN4 O15554 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CXCR1 P25024 1/20 0.35

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
SCHEMBL14641589 0.90 MET (0.49) METNQO2GSK3BPOLBSMN1; SMN2
SCHEMBL12241160 0.80 MET (0.50) METNQO2POLB
SCHEMBL22309754 0.76 MET (0.58) METNQO2SMN1; SMN2CXCR1
SCHEMBL1296276 0.75 MET (0.57) METNQO2CHRM3CXCR1
SCHEMBL31495087 0.73 MET (0.57) METNQO2CXCR1
SCHEMBL12547598 0.73 MET (0.57) METNQO2CXCR1
SCHEMBL13981879 0.73 ACHE (0.37) HCRTR1HCRTR2
SCHEMBL16697161 0.73 MET (0.44) METNQO2ADORA2BADORA1
SCHEMBL23344107 0.73 MET (0.54) METNQO2POLBCXCR1
SCHEMBL14641595 0.72 POLB (0.39) POLBSMN1; SMN2MAPK1CHRM3

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 2 patents. 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
WO-2008148449-A1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-12-11 — — WO disclosed
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