SCHEMBL27080264

SCHEMBL27080264

COc1nc(-c2cccc(-c3ccnc(-c4ccc5c(c4)CCC[C@H]5N(C[C@@H]4CCC(=O)N4)C(=O)O)c3Cl)c2Cl)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.46
▸ PDCD1 Q15116 3/20 0.46
▸ PDCD1LG2 Q9BQ51 17/20 0.45

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
SCHEMBL27080274 1.00 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL29983711 0.92 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL27080591 0.84 CD274 (0.60) CD274PDCD1PDCD1LG2
SCHEMBL27080605 0.84 CD274 (0.60) CD274PDCD1PDCD1LG2
SCHEMBL27081664 0.82 CD274 (0.45) CD274PDCD1PDCD1LG2
SCHEMBL27081644 0.82 CD274 (0.45) CD274PDCD1PDCD1LG2
SCHEMBL27080969 0.81 CD274 (0.54) CD274PDCD1PDCD1LG2
SCHEMBL27080973 0.81 CD274 (0.54) CD274PDCD1PDCD1LG2
SCHEMBL27080172 0.79 CD274 (0.50) CD274PDCD1PDCD1LG2
SCHEMBL27080181 0.79 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 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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