SCHEMBL19682322

SCHEMBL19682322

C=C(NCc1cccc(OC)c1F)c1cn(Cc2cnc3cc(Cl)ccc3c2)nc1COC

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.84
▸ F11 P03951 1/20 0.42

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
SCHEMBL17785285 0.91 KLKB1 (1.00) KLKB1
SCHEMBL17785338 0.88 KLKB1 (0.94) KLKB1F11
SCHEMBL28379609 0.85 KLKB1 (0.78) KLKB1F11
SCHEMBL24176220 0.81 KLKB1 (0.83) KLKB1
SCHEMBL21081704 0.80 KLKB1 (0.70) KLKB1F11
SCHEMBL17785314 0.76 KLKB1 (0.65) KLKB1F11
SCHEMBL31339410 0.75 KLKB1 (0.63) KLKB1F11
SCHEMBL17785263 0.75 KLKB1 (0.63) KLKB1F11
SCHEMBL17786836 0.71 KLKB1 (0.67) KLKB1F11
SCHEMBL17785303 0.71 KLKB1 (0.58) KLKB1

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-2017207983-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-12-07 — — WO disclosed
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