SCHEMBL21564432

SCHEMBL21564432

COCc1cc(-c2cc(Cl)cc(Cl)c2)nc(Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.46
▸ PGK1 P00558 1/20 0.44
▸ RET P07949 9/20 0.42
▸ ADK P55263 1/20 0.42
▸ CKS1B P61024 2/20 0.42
▸ SKP1 P63208 2/20 0.42
▸ SKP2 Q13309 2/20 0.42
▸ FURIN P09958 3/20 0.41

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
SCHEMBL21551128 0.92 GPR119 (0.46) GPR119PGK1RETADKCKS1B
SCHEMBL30931842 0.92 GPR119 (0.46) GPR119PGK1RETADKCKS1B
SCHEMBL29892188 0.92 GPR119 (0.46) GPR119PGK1RETADKCKS1B
SCHEMBL21551615 0.91 GPR119 (0.49) GPR119PGK1RETADKCKS1B
SCHEMBL29890881 0.91 GPR119 (0.49) GPR119PGK1RETADKCKS1B
SCHEMBL21551299 0.91 GPR119 (0.44) GPR119PGK1RETADKCKS1B
SCHEMBL29890902 0.91 GPR119 (0.44) GPR119PGK1RETADKCKS1B
SCHEMBL21553785 0.85 FURIN (0.51) GPR119PGK1FURIN
SCHEMBL29890993 0.85 FURIN (0.51) GPR119PGK1FURIN
SCHEMBL21564422 0.84 FURIN (0.54) GPR119PGK1RETADKCKS1B

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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