SCHEMBL17787124

SCHEMBL17787124

COc1c(CNC(=O)c2nc(C)n(Cc3cnc(N4CCCC4)nc3)n2)ccc2c(N)nccc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.46
▸ KLK1 P06870 7/20 0.39
▸ F11 P03951 1/20 0.37

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
SCHEMBL17787086 0.91 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17787004 0.91 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17786980 0.90 KLKB1 (0.44) KLKB1KLK1F11
SCHEMBL17787218 0.89 KLKB1 (0.42) KLKB1KLK1F11
SCHEMBL17786869 0.89 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17787215 0.86 KLKB1 (0.48) KLKB1KLK1
SCHEMBL17787219 0.85 KLKB1 (0.46) KLKB1KLK1F11
SCHEMBL17786867 0.84 KLKB1 (0.51) KLKB1KLK1
SCHEMBL17786968 0.84 KLKB1 (0.48) KLKB1KLK1F11
SCHEMBL17787039 0.82 KLKB1 (0.55) 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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