SCHEMBL28544841

SCHEMBL28544841

[CH2]c1cc(Oc2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ SYK P43405 2/20 0.47
▸ FURIN P09958 6/20 0.44
▸ RET P07949 1/20 0.41
▸ MAPK8 P45983 1/20 0.40
▸ SUV39H2 Q9H5I1 5/20 0.40
▸ SMO Q99835 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL21564398 0.89 FURIN (0.48) CKS1BSKP1SKP2SYKFURIN
SCHEMBL21550918 0.87 FURIN (0.48) CKS1BSKP1SKP2SYKFURIN
SCHEMBL28557733 0.87 CKS1B (0.50) CKS1BSKP1SKP2SYKRET
SCHEMBL21550916 0.86 FURIN (0.48) CKS1BSKP1SKP2SYKFURIN
SCHEMBL29890885 0.86 FURIN (0.47) CKS1BSKP1SKP2SYKFURIN
SCHEMBL28539414 0.83 CKS1B (0.48) CKS1BSKP1SKP2SYKFURIN
SCHEMBL21564580 0.76 CKS1B (0.47) CKS1BSKP1SKP2SYKFURIN
SCHEMBL21551220 0.75 FURIN (0.47) CKS1BSKP1SKP2FURINSUV39H2
SCHEMBL21564378 0.75 FURIN (0.54) CKS1BSKP1SKP2FURIN
SCHEMBL29891381 0.75 FURIN (0.54) CKS1BSKP1SKP2FURIN

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
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
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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