SCHEMBL17787017

SCHEMBL17787017

COCc1nc(C(=O)NCc2cc3ccnc(N)c3cc2OC)nn1Cc1cnc(N2CCCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.47
▸ KLK1 P06870 4/20 0.42
▸ F11 P03951 5/20 0.41
▸ F9 P00740 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ F2 P00734 1/20 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
SCHEMBL17787209 0.92 KLKB1 (0.47) KLKB1KLK1F11
SCHEMBL17787135 0.92 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17786812 0.91 KLKB1 (0.48) KLKB1KLK1F11
SCHEMBL17787215 0.91 KLKB1 (0.48) KLKB1KLK1F9F10
SCHEMBL17787176 0.90 KLKB1 (0.45) KLKB1KLK1F11F9F10
SCHEMBL17786980 0.86 KLKB1 (0.44) KLKB1KLK1F11F2
SCHEMBL17787171 0.86 KLKB1 (0.46) KLKB1KLK1F11F2
SCHEMBL17786968 0.85 KLKB1 (0.48) KLKB1KLK1F11
SCHEMBL17787137 0.85 KLKB1 (0.46) KLKB1KLK1F11F2
SCHEMBL17786962 0.84 KLKB1 (0.59) KLKB1F11F2

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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