SCHEMBL17787197

SCHEMBL17787197

Cc1nc(C(=O)NCc2ccc3c(N)nccc3c2)cn1Cc1cnc(N2CCCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.64
▸ KLK1 P06870 8/20 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
SCHEMBL17786823 0.89 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17786860 0.87 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17786897 0.86 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17787180 0.86 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17786783 0.85 KLKB1 (0.49) KLKB1KLK1
SCHEMBL17787188 0.85 KLKB1 (0.47) KLKB1KLK1
SCHEMBL17787219 0.83 KLKB1 (0.46) KLKB1KLK1
SCHEMBL17787193 0.81 KLKB1 (0.56) KLKB1KLK1
SCHEMBL17787091 0.80 KLKB1 (0.55) KLKB1KLK1
SCHEMBL17786893 0.79 KLKB1 (0.48) 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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