SCHEMBL30836745

SCHEMBL30836745

COc1cc(-c2nccc(-c3cccc(NC(=O)c4ccc(CNCCCF)cn4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.39
▸ PDCD1 Q15116 6/20 0.39
▸ PDCD1LG2 Q9BQ51 11/20 0.38

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
SCHEMBL29983371 0.92 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL29984532 0.92 CD274 (0.40) CD274PDCD1PDCD1LG2
SCHEMBL29983510 0.91 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL29984177 0.89 CD274 (0.40) CD274PDCD1PDCD1LG2
SCHEMBL27080767 0.88 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL29983797 0.88 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL27080776 0.88 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL30836207 0.88 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL30836138 0.88 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL30836235 0.88 CD274 (0.51) 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
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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