SCHEMBL29983746

SCHEMBL29983746

COc1cc(-c2nccc(-c3cccc(-c4ccc(CNC5CC6(COC6)C5)c(OC)n4)c3C(F)(F)F)c2Cl)ccc1CNC1CC2(COC2)C1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.50
▸ PDCD1LG2 Q9BQ51 17/20 0.50
▸ PDCD1 Q15116 3/20 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
SCHEMBL27080467 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL29982230 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL29983515 0.92 CD274 (0.58) CD274PDCD1LG2PDCD1
SCHEMBL27079431 0.92 CD274 (0.58) CD274PDCD1LG2PDCD1
SCHEMBL27078380 0.90 CD274 (0.52) CD274PDCD1LG2PDCD1
SCHEMBL29983074 0.90 CD274 (0.52) CD274PDCD1LG2PDCD1
SCHEMBL29983113 0.89 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL27078653 0.89 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL29983614 0.87 CD274 (0.51) CD274PDCD1LG2PDCD1
SCHEMBL29982039 0.87 PDCD1LG2 (0.52) CD274PDCD1LG2

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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