SCHEMBL28960255

SCHEMBL28960255

COc1nc(-c2cccc(-c3ccn4c(=O)c(CNC[C@@H](O)CC(=O)O)cnc4c3)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.76
PDCD1LG2 Q9BQ51 17/20 0.76
PDCD1 Q15116 3/20 0.59

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
SCHEMBL28960257 1.00 CD274 (0.76) CD274PDCD1LG2PDCD1
SCHEMBL23725352 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL23726102 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL23724694 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL23724159 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL23724189 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL23724516 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL25168821 0.99 CD274 (0.77) CD274PDCD1LG2PDCD1
SCHEMBL28903476 0.95 CD274 (0.68) CD274PDCD1LG2PDCD1
SCHEMBL28903478 0.95 CD274 (0.68) 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