SCHEMBL26331963

SCHEMBL26331963

COc1nc(-c2cccc(-c3cccc(-c4cnc(CNC[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ccc1CN

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.90
PDCD1 Q15116 18/20 0.90
PDCD1LG2 Q9BQ51 2/20 0.77

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
SCHEMBL26331990 1.00 CD274 (0.90) CD274PDCD1PDCD1LG2
SCHEMBL21291041 0.94 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21274560 0.94 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21274561 0.94 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21291064 0.93 PDCD1 (1.00) CD274PDCD1
SCHEMBL26332112 0.93 PDCD1 (1.00) CD274PDCD1
Evixapodlin SCHEMBL29387636 0.92 PDCD1 (1.00) CD274PDCD1
Evixapodlin SCHEMBL21290535 0.92 PDCD1 (1.00) CD274PDCD1
Evixapodlin SCHEMBL21274280 0.92 PDCD1 (1.00) CD274PDCD1
Evixapodlin SCHEMBL21290636 0.92 PDCD1 (1.00) 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
EP-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 EP disclosed