SCHEMBL21564599

SCHEMBL21564599

COCc1cc(Oc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)nc(-c2cc(F)cc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.47
▸ FURIN P09958 6/20 0.42
▸ RET P07949 4/20 0.42
▸ WNT3A P56704 1/20 0.41
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ PGK1 P00558 1/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39

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
SCHEMBL29891921 0.93 GPR119 (0.46) GPR119FURINRETWNT3ACKS1B
SCHEMBL30931821 0.93 GPR119 (0.46) GPR119FURINRETWNT3ACKS1B
SCHEMBL21551253 0.93 GPR119 (0.46) GPR119FURINRETWNT3ACKS1B
SCHEMBL28546917 0.92 GPR119 (0.50) GPR119FURINRETWNT3ACKS1B
SCHEMBL29890665 0.92 GPR119 (0.50) GPR119FURINRETWNT3ACKS1B
SCHEMBL21551516 0.87 GPR119 (0.42) GPR119FURINRETWNT3ACKS1B
SCHEMBL30931835 0.87 GPR119 (0.42) GPR119FURINRETWNT3ACKS1B
SCHEMBL29890753 0.87 GPR119 (0.42) GPR119FURINRETWNT3ACKS1B
SCHEMBL21551594 0.87 CKS1B (0.44) GPR119FURINRETWNT3ACKS1B
SCHEMBL21564422 0.87 FURIN (0.54) GPR119FURINRETWNT3ACKS1B

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
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — WO disclosed
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