SCHEMBL24613638

SCHEMBL24613638

COc1nc(O[C@H]2CCc3c(-c4cccc(-c5ccc(C6NCCN6C)c(OC)n5)c4Cl)cccc32)c(Br)cc1CN[C@](C)(CO)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.63
PDCD1 Q15116 18/20 0.63
PDCD1LG2 Q9BQ51 2/20 0.53

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
SCHEMBL24613631 1.00 CD274 (0.63) CD274PDCD1PDCD1LG2
SCHEMBL24613783 0.91 PDCD1 (0.55) CD274PDCD1
SCHEMBL24613447 0.86 CD274 (0.64) CD274PDCD1PDCD1LG2
SCHEMBL23949757 0.86 CD274 (0.64) CD274PDCD1PDCD1LG2
SCHEMBL23948879 0.86 CD274 (0.64) CD274PDCD1PDCD1LG2
SCHEMBL23961526 0.84 PDCD1 (0.66) CD274PDCD1
SCHEMBL20539289 0.84 CD274 (0.60) CD274PDCD1PDCD1LG2
SCHEMBL23949231 0.84 CD274 (0.60) CD274PDCD1PDCD1LG2
SCHEMBL23961477 0.83 CD274 (0.63) CD274PDCD1PDCD1LG2
SCHEMBL23961520 0.83 CD274 (0.63) CD274PDCD1PDCD1LG2

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed