SCHEMBL21564422

SCHEMBL21564422

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 12/20 0.54
▸ GPR119 Q8TDV5 2/20 0.50
▸ PGK1 P00558 1/20 0.46
▸ ADK P55263 1/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ RET P07949 2/20 0.43

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
SCHEMBL29890947 0.92 FURIN (0.55) FURINGPR119PGK1ADKCKS1B
SCHEMBL30931806 0.92 FURIN (0.55) FURINGPR119PGK1ADKCKS1B
SCHEMBL21551238 0.92 FURIN (0.55) FURINGPR119PGK1ADKCKS1B
SCHEMBL29890812 0.91 GPR119 (0.53) FURINGPR119PGK1ADKCKS1B
SCHEMBL21551434 0.91 GPR119 (0.53) FURINGPR119PGK1ADKCKS1B
SCHEMBL21551754 0.90 FURIN (0.53) FURINGPR119PGK1ADKCKS1B
SCHEMBL30931829 0.90 FURIN (0.53) FURINGPR119PGK1ADKCKS1B
SCHEMBL29890982 0.90 FURIN (0.53) FURINGPR119PGK1ADKCKS1B
SCHEMBL21564518 0.88 FURIN (0.55) FURIN
SCHEMBL27044993 0.88 GPR119 (0.54) GPR119PGK1ADKCKS1BSKP1

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 3 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
US-9388132-B2 Isobaric tandem mass tags for quantitative proteomics and peptidomics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-12 — — US disclosed
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