SCHEMBL17786957

SCHEMBL17786957

Cc1nc(C(=O)NCc2cc3ccnc(N)c3cc2F)nn1Cc1ccc(Cn2cccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.55
▸ KLK1 P06870 3/20 0.47

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
SCHEMBL17786888 0.92 KLKB1 (0.57) KLKB1KLK1
SCHEMBL17787110 0.89 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17786851 0.89 KLKB1 (0.53) KLKB1KLK1
SCHEMBL17786865 0.88 KLKB1 (0.59) KLKB1KLK1
SCHEMBL17786987 0.88 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17787067 0.87 KLKB1 (0.57) KLKB1KLK1
SCHEMBL17786895 0.85 KLKB1 (0.67) KLKB1KLK1
SCHEMBL17786875 0.84 KLKB1 (0.55) KLKB1KLK1
SCHEMBL17786941 0.82 KLKB1 (0.54) KLKB1KLK1
SCHEMBL17787167 0.82 KLKB1 (0.59) 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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