SCHEMBL28903210

SCHEMBL28903210

COc1nc(-c2cccc(-c3cnc4cc(CNC[C@@H]5CCC(=O)N5)ccc4c3)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.77
▸ PDCD1LG2 Q9BQ51 19/20 0.77
▸ PDCD1 Q15116 1/20 0.70

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
SCHEMBL23724155 0.99 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL23724773 0.99 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL25172034 0.99 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL23724608 0.99 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL23724372 0.99 CD274 (0.78) CD274PDCD1LG2PDCD1
SCHEMBL29984238 0.93 CD274 (0.70) CD274PDCD1LG2PDCD1
SCHEMBL29983393 0.93 CD274 (0.70) CD274PDCD1LG2PDCD1
SCHEMBL29983672 0.93 CD274 (0.70) CD274PDCD1LG2PDCD1
SCHEMBL29982919 0.93 CD274 (0.70) CD274PDCD1LG2PDCD1
SCHEMBL29982161 0.93 CD274 (0.70) 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-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 — — CN disclosed
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