SCHEMBL30931835

SCHEMBL30931835

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.42
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ PGK1 P00558 1/20 0.41
▸ RET P07949 11/20 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
▸ FURIN P09958 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
SCHEMBL21551516 1.00 GPR119 (0.42) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL29890753 1.00 GPR119 (0.42) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL21551594 0.92 CKS1B (0.44) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL21564440 0.91 PGK1 (0.44) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL30931836 0.91 PGK1 (0.44) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL29891088 0.91 PGK1 (0.44) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL21551014 0.90 FURIN (0.40) GPR119FURIN
SCHEMBL26077377 0.88 FURIN (0.39) GPR119CRBNFURIN
SCHEMBL21564599 0.87 GPR119 (0.47) GPR119CKS1BSKP1SKP2PGK1
SCHEMBL30931821 0.87 GPR119 (0.46) GPR119CKS1BSKP1SKP2PGK1

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
Send feedback