SCHEMBL28551237

SCHEMBL28551237

Cc1c(C(=O)O)cc(-c2cc(Cl)cc(Cl)c2)nc1Oc1cnc(N2CCC(NC(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ FURIN P09958 11/20 0.42
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ SUV39H2 Q9H5I1 3/20 0.37
▸ BTK Q06187 2/20 0.36
▸ JAK3 P52333 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
SCHEMBL29199017 0.89 CKS1B (0.46) CKS1BSKP1SKP2CNR1CNR2
SCHEMBL21564378 0.80 FURIN (0.54) CKS1BSKP1SKP2FURIN
SCHEMBL21551220 0.80 FURIN (0.47) CKS1BSKP1SKP2FURINSUV39H2
SCHEMBL29891381 0.80 FURIN (0.54) CKS1BSKP1SKP2FURIN
SCHEMBL28548809 0.78 FURIN (0.48) CKS1BSKP1SKP2FURINBTK
SCHEMBL21550901 0.77 FURIN (0.51) CKS1BSKP1SKP2FURIN
SCHEMBL28548808 0.77 FURIN (0.51) CKS1BSKP1SKP2FURIN
SCHEMBL21551135 0.77 FURIN (0.74) FURIN
SCHEMBL21550967 0.75 FURIN (0.65) FURIN
SCHEMBL23339865 0.75 CKS1B (0.54) CKS1BSKP1SKP2CNR1CNR2

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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