SCHEMBL17786926

SCHEMBL17786926

O=C(NCc1cnc2[nH]cc(Cl)cc1-2)c1cn(Cc2ccnc(N3CCCC3)c2)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.61
▸ KLK1 P06870 1/20 0.61

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
SCHEMBL17786843 0.89 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17786937 0.79 KLKB1 (0.49) KLKB1
SCHEMBL17786876 0.78 KLKB1 (0.57) KLKB1
SCHEMBL17786905 0.77 KLKB1 (0.51) KLKB1
SCHEMBL17786882 0.76 KLKB1 (0.68) KLKB1KLK1
SCHEMBL15874098 0.76 KLKB1 (1.00) KLKB1KLK1
SCHEMBL16246812 0.76 KLKB1 (0.64) KLKB1KLK1
SCHEMBL17786982 0.74 KLKB1 (0.57) KLKB1
SCHEMBL17786913 0.71 KLKB1 (0.65) KLKB1KLK1
SCHEMBL17786946 0.71 KLKB1 (0.65) 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 2 patents. 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
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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