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Sugi Predict / Compounds / SCHEMBL29983980

SCHEMBL29983980

SCHEMBL29983980

COc1cc(-c2nccc(-c3cccc(-c4ccc5c(CNC[C@@H]6CCCO6)cn(C)c5n4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.50
▸ PDCD1 Q15116 8/20 0.50
▸ PDCD1LG2 Q9BQ51 12/20 0.46

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
SCHEMBL27080188 1.00 CD274 (0.50) CD274PDCD1PDCD1LG2
SCHEMBL27080800 0.97 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL29984819 0.97 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL29984162 0.91 CD274 (0.49) CD274PDCD1PDCD1LG2
SCHEMBL29983981 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL27080942 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL29983665 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL27080667 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL27080859 0.90 CD274 (0.47) CD274PDCD1PDCD1LG2
SCHEMBL29983792 0.90 CD274 (0.50) CD274PDCD1PDCD1LG2

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-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 — — EP disclosed
WO-2022208269-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2022-10-06 — — WO disclosed
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