SCHEMBL17787156

SCHEMBL17787156

COc1cc(CNC(=O)c2nc(C)n(Cc3ccc(Cn4cc(F)cn4)cc3)n2)cc2ccnc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.48
▸ KLK1 P06870 3/20 0.46

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
SCHEMBL17787147 0.93 KLKB1 (0.57) KLKB1KLK1
SCHEMBL17787104 0.91 KLKB1 (0.49) KLKB1KLK1
SCHEMBL17787062 0.87 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17787050 0.86 KLKB1 (0.49) KLKB1KLK1
SCHEMBL17786863 0.86 KLKB1 (0.49) KLKB1KLK1
SCHEMBL17787191 0.84 KLKB1 (0.58) KLKB1KLK1
SCHEMBL17787202 0.84 KLKB1 (0.66) KLKB1
SCHEMBL17786941 0.81 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17786987 0.81 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17787082 0.81 KLKB1 (0.52) KLKB1KLK1

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
WO-2016083816-A1 N-((HETEROARYLMETHYL)-HETEROARYL-CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-02 — — WO claimed
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