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Sugi Predict / Compounds / SCHEMBL29984099

SCHEMBL29984099

SCHEMBL29984099

COc1nc(-c2cccc(-c3ccnc(-c4cc5c(=O)n(C)c(CN6CC(C)(O)C6)nn5c4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.49
▸ PDCD1 Q15116 15/20 0.49
▸ PDCD1LG2 Q9BQ51 5/20 0.42

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
SCHEMBL27080252 1.00 CD274 (0.49) CD274PDCD1PDCD1LG2
SCHEMBL23725676 0.94 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL30433138 0.94 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL27080759 0.94 CD274 (0.47) CD274PDCD1PDCD1LG2
SCHEMBL28903126 0.94 CD274 (0.49) CD274PDCD1PDCD1LG2
SCHEMBL27081864 0.93 CD274 (0.48) CD274PDCD1PDCD1LG2
SCHEMBL27081852 0.93 CD274 (0.48) CD274PDCD1PDCD1LG2
SCHEMBL27081003 0.92 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL29984081 0.92 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL29983216 0.92 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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