SCHEMBL17787209

SCHEMBL17787209

COCc1nc(C(=O)NCc2cc3ccnc(N)c3cc2C)nn1Cc1cnc(N2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.47
▸ F11 P03951 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ KLK1 P06870 5/20 0.39

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
SCHEMBL17786812 0.92 KLKB1 (0.48) KLKB1F11KLK1
SCHEMBL17787017 0.92 KLKB1 (0.47) KLKB1F11KLK1
SCHEMBL17786986 0.91 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17787007 0.90 KLKB1 (0.44) KLKB1F11KLK1
SCHEMBL17786867 0.90 KLKB1 (0.51) KLKB1PIK3CDKLK1
SCHEMBL17786968 0.88 KLKB1 (0.48) KLKB1F11KLK1
SCHEMBL17787137 0.85 KLKB1 (0.46) KLKB1F11KLK1
SCHEMBL17786980 0.85 KLKB1 (0.44) KLKB1F11KLK1
SCHEMBL17786811 0.84 KLKB1 (0.59) KLKB1F11
SCHEMBL17787215 0.84 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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