SCHEMBL21564518

SCHEMBL21564518

COCc1cc(Oc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)nc2)nc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 19/20 0.55
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL21551213 0.91 FURIN (0.54) FURINSCN9A
SCHEMBL21551785 0.91 FURIN (0.53) FURINSCN9A
SCHEMBL21564422 0.88 FURIN (0.54) FURIN
SCHEMBL28911587 0.81 FURIN (0.60) FURIN
SCHEMBL21551202 0.81 FURIN (0.72) FURIN
SCHEMBL21551387 0.81 FURIN (0.55) FURIN
SCHEMBL21551142 0.81 FURIN (0.57) FURIN
SCHEMBL21551238 0.80 FURIN (0.55) FURIN
SCHEMBL30931806 0.80 FURIN (0.55) FURIN
SCHEMBL29890947 0.80 FURIN (0.55) FURIN

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
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — WO disclosed
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