SCHEMBL22993242

SCHEMBL22993242

COCc1nn(Cc2cnc(N3CCCC3)nc2)cc1C(=O)NCc1c(N(N)/C=C\N)ccc(OC)c1F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.72
▸ F11 P03951 10/20 0.72
▸ F2 P00734 1/20 0.68
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49

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
SCHEMBL22993482 0.92 KLKB1 (0.73) KLKB1F11F2CYP3A4CYP2C8
SCHEMBL22993624 0.84 KLKB1 (0.78) KLKB1F11F2CYP3A4CYP2C8
SCHEMBL17785282 0.84 F11 (1.00) KLKB1F11F2
SCHEMBL24253352 0.81 F11 (1.00) KLKB1F11F2
SCHEMBL19682714 0.81 F11 (1.00) KLKB1F11F2
SCHEMBL22993483 0.81 F11 (1.00) KLKB1F11F2
SCHEMBL22993282 0.79 F11 (1.00) KLKB1F11F2
SCHEMBL29324557 0.78 KLKB1 (0.68) KLKB1F11F2CYP3A4CYP2C8
SCHEMBL19682326 0.77 KLKB1 (0.68) KLKB1F11F2CYP3A4CYP2C8
SCHEMBL17785396 0.76 KLKB1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
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