SCHEMBL17786801

SCHEMBL17786801

COCc1nc(C(=O)NCc2cc3ccnc(N)c3cc2C)nn1Cc1ccc(Cn2cc(C)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.61
▸ KLK1 P06870 4/20 0.54

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
SCHEMBL17787128 0.93 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17786960 0.93 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17786978 0.90 KLKB1 (0.74) KLKB1KLK1
SCHEMBL17787006 0.90 KLKB1 (0.63) KLKB1KLK1
SCHEMBL17786961 0.89 KLKB1 (0.55) KLKB1KLK1
SCHEMBL17787087 0.88 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17786983 0.86 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17787115 0.86 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17786854 0.86 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17787051 0.86 KLKB1 (0.82) KLKB1

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 disclosed
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