SCHEMBL28548809

SCHEMBL28548809

CCS(=O)(=O)Oc1cc(Oc2cnc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2)nc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 17/20 0.48
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ KAT8 Q9H7Z6 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL28548808 0.88 FURIN (0.51) FURINCKS1BSKP1SKP2
SCHEMBL21564378 0.88 FURIN (0.54) FURINCKS1BSKP1SKP2
SCHEMBL29891381 0.88 FURIN (0.54) FURINCKS1BSKP1SKP2
SCHEMBL21550901 0.87 FURIN (0.51) FURINCKS1BSKP1SKP2
SCHEMBL21551220 0.85 FURIN (0.47) FURINCKS1BSKP1SKP2
SCHEMBL21551135 0.82 FURIN (0.74) FURIN
SCHEMBL21550967 0.82 FURIN (0.65) FURIN
SCHEMBL28557690 0.81 FURIN (0.60) FURIN
SCHEMBL28551237 0.78 CKS1B (0.46) FURINCKS1BSKP1SKP2JAK3
SCHEMBL21551360 0.75 CKS1B (0.44) CKS1BSKP1SKP2JAK3BTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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