SCHEMBL21985912

SCHEMBL21985912

CCc1ccc(-n2cnnn2)c(CNC(=O)c2cn(Cc3ccc(N4CCCC4)nc3)nc2COC)c1F

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 15/20 0.85
▸ KLKB1 P03952 15/20 0.85
▸ F2 P00734 2/20 0.72

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
SCHEMBL21145581 0.92 F11 (1.00) F11KLKB1F2
SCHEMBL21145604 0.89 KLKB1 (0.81) F11KLKB1F2
SCHEMBL21145569 0.85 KLKB1 (0.85) F11KLKB1F2
SCHEMBL21985916 0.84 F11 (0.77) F11KLKB1F2
SCHEMBL19682714 0.84 F11 (1.00) F11KLKB1F2
SCHEMBL21145591 0.83 F11 (1.00) F11KLKB1F2
SCHEMBL21145595 0.83 KLKB1 (1.00) F11KLKB1F2
SCHEMBL21145557 0.81 F11 (0.80) F11KLKB1F2
SCHEMBL19668413 0.78 KLKB1 (0.86) F11KLKB1F2
SCHEMBL17785353 0.77 KLKB1 (0.80) F11KLKB1F2

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
EP-3464271-B1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-05-13 — — EP disclosed
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