SCHEMBL27081833

SCHEMBL27081833

COc1cc(-c2nccc(-c3cccc(-c4ccc(CN(CC5CCC(=O)N5)C(=O)O)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.61
▸ PDCD1LG2 Q9BQ51 18/20 0.61
▸ PDCD1 Q15116 2/20 0.55

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
SCHEMBL29984201 0.92 CD274 (0.58) CD274PDCD1LG2PDCD1
SCHEMBL27081080 0.90 CD274 (0.51) CD274PDCD1LG2PDCD1
SCHEMBL27081088 0.90 CD274 (0.51) CD274PDCD1LG2PDCD1
SCHEMBL27080973 0.90 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL27080969 0.90 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL27078967 0.89 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27078958 0.89 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079944 0.89 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27080832 0.87 CD274 (0.52) CD274PDCD1LG2PDCD1
SCHEMBL27080828 0.87 CD274 (0.52) 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 1 patent. 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
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