SCHEMBL21564398

SCHEMBL21564398

CNCc1cc(Oc2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 13/20 0.48
▸ SYK P43405 2/20 0.45
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45
▸ MAPK8 P45983 1/20 0.41
▸ RET P07949 1/20 0.40
▸ SUV39H2 Q9H5I1 2/20 0.38

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
SCHEMBL21550918 0.91 FURIN (0.48) FURINSYKCKS1BSKP1SKP2
SCHEMBL29890885 0.89 FURIN (0.47) FURINSYKCKS1BSKP1SKP2
SCHEMBL21550916 0.89 FURIN (0.48) FURINSYKCKS1BSKP1SKP2
SCHEMBL28544841 0.89 CKS1B (0.47) FURINSYKCKS1BSKP1SKP2
SCHEMBL21564580 0.88 CKS1B (0.47) FURINSYKCKS1BSKP1SKP2
SCHEMBL29928359 0.84 FURIN (0.49) FURIN
SCHEMBL21551606 0.84 FURIN (0.49) FURIN
SCHEMBL30931829 0.82 FURIN (0.53) FURINCKS1BSKP1SKP2RET
SCHEMBL21551754 0.82 FURIN (0.53) FURINCKS1BSKP1SKP2RET
SCHEMBL29890982 0.82 FURIN (0.53) FURINCKS1BSKP1SKP2RET

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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