SCHEMBL1710430

SCHEMBL1710430

Cc1cc(-n2cc(F)cn2)c2cccc(OCc3c(Cl)ccnc3C(C)n3cccc(C#N)c3=O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 17/20 0.47
RORC P51449 3/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1710184 0.93 BDKRB2 (0.47) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL1722186 0.89 BDKRB2 (0.44) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL1564104 0.86 BDKRB2 (0.50) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL1710354 0.85 BDKRB2 (0.49) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL13448483 0.84 BDKRB2 (0.50) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL1564772 0.82 BDKRB2 (0.49) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL1564137 0.81 BDKRB2 (0.43) BDKRB2CYP3A4CYP2C19
SCHEMBL1710314 0.81 BDKRB2 (0.51) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL12712323 0.80 BDKRB2 (0.51) BDKRB2RORCCYP3A4CYP2C19
SCHEMBL13093226 0.80 BDKRB2 (0.52) BDKRB2RORCCYP3A4CYP2C19

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-2344477-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS Jerini AG (DE) 2011-07-20 EP disclosed
WO-2010031589-A1 SMALL MOLECULE BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-03-25 WO disclosed