SCHEMBL17787088

SCHEMBL17787088

COc1c(CNC(=O)c2cn(Cc3cnc(N4CCC(F)(F)C4)nc3)c(C3CC3)n2)ccc2c(N)nccc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.46
▸ F11 P03951 2/20 0.41
▸ KLK1 P06870 3/20 0.40
▸ F9 P00740 4/20 0.36
▸ F10 P00742 3/20 0.36

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
SCHEMBL17787141 0.91 KLKB1 (0.47) KLKB1F11KLK1
SCHEMBL17786857 0.91 KLKB1 (0.42) KLKB1F11KLK1
SCHEMBL17787121 0.90 KLKB1 (0.46) KLKB1F11KLK1
SCHEMBL17786898 0.88 KLKB1 (0.48) KLKB1F11KLK1F9F10
SCHEMBL17786804 0.85 KLKB1 (0.49) KLKB1F11KLK1F9F10
SCHEMBL17786899 0.85 KLKB1 (0.50) KLKB1F11KLK1F9F10
SCHEMBL17787113 0.83 KLKB1 (0.52) KLKB1KLK1
SCHEMBL17786911 0.83 KLKB1 (0.47) KLKB1F11KLK1F9F10
SCHEMBL17786985 0.83 KLKB1 (0.57) KLKB1F11KLK1
SCHEMBL17786818 0.82 KLKB1 (0.44) KLKB1F11KLK1

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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