SCHEMBL30836488

SCHEMBL30836488

COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(CNCCO)cc4F)c3C)c2Cl)ccc1CNC[C@H]1CCC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.51
▸ PDCD1 Q15116 5/20 0.51
▸ PDCD1LG2 Q9BQ51 14/20 0.50

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
SCHEMBL30836112 1.00 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL30836514 1.00 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL29982638 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL29982883 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL27079053 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL27079045 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL29982401 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL29982770 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL27080689 0.91 CD274 (0.56) CD274PDCD1PDCD1LG2
SCHEMBL27079139 0.91 CD274 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 — — WO claimed
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 — — WO disclosed
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