SCHEMBL27080939

SCHEMBL27080939

COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(CN(C[C@@H]5CCC(=O)N5)C(=O)O)cn4)c3C)c2Cl)ccc1CNCCCF

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.45
▸ PDCD1 Q15116 16/20 0.45
▸ PDCD1LG2 Q9BQ51 2/20 0.41

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
SCHEMBL27080947 1.00 CD274 (0.45) CD274PDCD1PDCD1LG2
SCHEMBL27080634 0.94 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL27080682 0.94 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL29983371 0.93 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL27079817 0.90 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL29983733 0.90 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL29982505 0.90 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL27079804 0.90 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL27079813 0.90 CD274 (0.53) CD274PDCD1PDCD1LG2
SCHEMBL27080707 0.89 CD274 (0.50) CD274PDCD1

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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