SCHEMBL30931836

SCHEMBL30931836

COC(=O)c1cc(Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc(-c2cc(F)cc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 1/20 0.44
▸ FURIN P09958 6/20 0.44
▸ GPR119 Q8TDV5 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ MGLL Q99685 1/20 0.41
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ RET P07949 4/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ WNT3A P56704 1/20 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
SCHEMBL29891088 1.00 PGK1 (0.44) PGK1FURINGPR119ADKMGLL
SCHEMBL21564440 1.00 PGK1 (0.44) PGK1FURINGPR119ADKMGLL
SCHEMBL29891361 0.95 FURIN (0.48) PGK1FURINGPR119ADKCKS1B
SCHEMBL21551215 0.95 FURIN (0.48) PGK1FURINGPR119ADKCKS1B
SCHEMBL30931809 0.95 FURIN (0.48) PGK1FURINGPR119ADKCKS1B
SCHEMBL21551516 0.91 GPR119 (0.42) PGK1FURINGPR119CKS1BSKP1
SCHEMBL30931835 0.91 GPR119 (0.42) PGK1FURINGPR119CKS1BSKP1
SCHEMBL29890753 0.91 GPR119 (0.42) PGK1FURINGPR119CKS1BSKP1
SCHEMBL30931850 0.90 GPR119 (0.45) FURINGPR119
SCHEMBL21551237 0.90 GPR119 (0.45) FURINGPR119

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-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
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