SCHEMBL29144063

SCHEMBL29144063

COc1cc(-c2nccc(-c3cccc(-c4ccc(CN(CC5CCC(=O)N5)C(=O)OC(C)(C)C)c(OC)n4)c3Cl)c2Cl)ccc1CNC1(C(=O)OC(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.50
▸ PDCD1LG2 Q9BQ51 14/20 0.50
▸ PDCD1 Q15116 6/20 0.47

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
SCHEMBL29144062 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL29984023 1.00 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL27081234 0.93 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27081241 0.93 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27080773 0.88 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL29983647 0.88 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL29984201 0.88 CD274 (0.58) CD274PDCD1LG2PDCD1
SCHEMBL29983707 0.87 CD274 (0.67) CD274PDCD1LG2PDCD1
SCHEMBL29143766 0.87 CD274 (0.67) CD274PDCD1LG2PDCD1
SCHEMBL29143764 0.87 CD274 (0.67) 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
CN-117412959-A Substituted 1-aryl-1 '-heteroaryl compounds, substituted 1,1' -biaryl compounds, and methods of use thereof 爱彼特生物制药公司 2024-01-16 — — CN disclosed
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