SCHEMBL29144038

SCHEMBL29144038

[CH2]c1ccc(C(=O)Nc2cccc(-c3ccnc(-c4ccc(CNC5CCN(C(C)=O)CC5)c(OC)c4)c3Cl)c2C)nc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.51
▸ PDCD1 Q15116 18/20 0.51
▸ PDCD1LG2 Q9BQ51 1/20 0.46

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
SCHEMBL29143902 0.95 CD274 (0.48) CD274PDCD1PDCD1LG2
SCHEMBL27079039 0.93 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL30836557 0.91 CD274 (0.50) CD274PDCD1PDCD1LG2
SCHEMBL29143950 0.90 PDCD1 (0.61) CD274PDCD1
SCHEMBL29983091 0.89 CD274 (0.54) CD274PDCD1
SCHEMBL27078771 0.89 CD274 (0.54) CD274PDCD1
SCHEMBL27079293 0.88 CD274 (0.48) CD274PDCD1PDCD1LG2
SCHEMBL30836129 0.87 CD274 (0.57) CD274PDCD1
SCHEMBL30836243 0.87 CD274 (0.57) CD274PDCD1
SCHEMBL30836458 0.87 CD274 (0.53) 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
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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