SCHEMBL29983156

SCHEMBL29983156

COc1nc(-c2cccc(-c3ccnc(-c4cnc5c(CNC6CCN(C(C)=O)CC6)cn(C)c5c4)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.62
▸ PDCD1 Q15116 12/20 0.62
▸ PDCD1LG2 Q9BQ51 8/20 0.56

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
SCHEMBL27079827 1.00 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL27078572 1.00 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL27078581 1.00 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL29982404 1.00 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL29982773 0.92 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL27078874 0.92 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL27078867 0.92 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL29982364 0.92 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL27080193 0.92 CD274 (0.62) CD274PDCD1PDCD1LG2
SCHEMBL29984202 0.92 CD274 (0.53) 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 4 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 claimed
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 claimed
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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