SCHEMBL2944592

SCHEMBL2944592

COc1ccnc(Cc2cc[nH]c(=O)c2C#N)c1COc1cccc2c(-c3ncsc3Cl)cc(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL1710190 0.84 BDKRB2 (0.55) BDKRB2CYP3A4CYP2C19
SCHEMBL2939461 0.80 BDKRB2 (0.58) BDKRB2
SCHEMBL1563891 0.79 BDKRB2 (0.68) BDKRB2CYP3A4CYP2C19
SCHEMBL2939769 0.74 BDKRB2 (0.57) BDKRB2
SCHEMBL2940233 0.74 BDKRB2 (0.59) BDKRB2CYP3A4
SCHEMBL1564395 0.74 BDKRB2 (0.87) BDKRB2CYP3A4CYP2C19
SCHEMBL13146279 0.73 BDKRB2 (0.62) BDKRB2CYP3A4CYP2C19
SCHEMBL2946065 0.73 BDKRB2 (0.59) BDKRB2CYP3A4CYP2C19
SCHEMBL13146140 0.72 BDKRB2 (0.69) BDKRB2CYP3A4CYP2C19
SCHEMBL1563164 0.71 BDKRB2 (1.00) BDKRB2

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-2144897-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP claimed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO claimed
EP-2144897-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2010-01-20 EP disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 WO disclosed