SCHEMBL24613504

SCHEMBL24613504

COc1nc(-c2cccc(-c3cccc(COc4nc(OC)c(CN5CC6(CNC(=O)C6)C5)cc4Cl)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.83
PDCD1LG2 Q9BQ51 8/20 0.83
PDCD1 Q15116 12/20 0.76

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
SCHEMBL23948794 1.00 CD274 (0.83) CD274PDCD1LG2PDCD1
SCHEMBL24613649 0.95 CD274 (0.75) CD274PDCD1LG2PDCD1
SCHEMBL21507212 0.91 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL24613167 0.87 CD274 (0.83) CD274PDCD1LG2PDCD1
SCHEMBL23949608 0.87 CD274 (0.83) CD274PDCD1LG2PDCD1
SCHEMBL21291040 0.86 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL26341479 0.86 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21506846 0.85 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL21544572 0.85 CD274 (1.00) CD274PDCD1LG2PDCD1
SCHEMBL29982936 0.84 CD274 (0.81) 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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed