SCHEMBL29143773

SCHEMBL29143773

COc1cc(-c2nccc(-c3cccc(-c4ccc(C5=NCCN5)c(OC)n4)c3Cl)c2Cl)ccc1CNCC(O)CC(=O)OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.66
▸ PDCD1LG2 Q9BQ51 16/20 0.66
▸ PDCD1 Q15116 4/20 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
SCHEMBL29983033 1.00 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL29143792 1.00 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL29983260 1.00 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL29143772 1.00 CD274 (0.66) CD274PDCD1LG2PDCD1
SCHEMBL29983740 0.93 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079544 0.93 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079168 0.93 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29983151 0.93 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL27079175 0.93 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29143770 0.87 CD274 (0.54) 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 2 patents. 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 claimed
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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