SCHEMBL29982690

SCHEMBL29982690

COc1cc(-c2nccc(-c3cccc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)cnc1CNC1CCN(C(C)=O)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.71
▸ PDCD1LG2 Q9BQ51 15/20 0.71
▸ PDCD1 Q15116 5/20 0.57

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
SCHEMBL27079547 1.00 CD274 (0.71) CD274PDCD1LG2PDCD1
SCHEMBL27079158 0.92 CD274 (0.75) CD274PDCD1LG2PDCD1
SCHEMBL29982204 0.92 CD274 (0.75) CD274PDCD1LG2PDCD1
SCHEMBL27079966 0.90 CD274 (0.64) CD274PDCD1LG2PDCD1
SCHEMBL29982295 0.90 CD274 (0.64) CD274PDCD1LG2PDCD1
SCHEMBL27079655 0.89 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL29983224 0.89 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL29982523 0.89 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27079746 0.89 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL29983251 0.89 CD274 (0.71) CD274PDCD1LG2PDCD1

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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