SCHEMBL24613286

SCHEMBL24613286

N#Cc1cc(C#N)cc(COc2nc(OCc3cccc(-c4cccc(-c5ccc(CN6CC7(CCC(=O)N7)C6)cc5)c4Cl)c3Cl)c(Cl)cc2CNCCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.55
PDCD1LG2 Q9BQ51 19/20 0.55
PDCD1 Q15116 1/20 0.42

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
SCHEMBL24613043 0.93 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL23948921 0.90 CD274 (0.55) CD274PDCD1LG2PDCD1
SCHEMBL23949330 0.84 CD274 (0.51) CD274PDCD1LG2PDCD1
SCHEMBL24613510 0.83 CD274 (0.50) CD274PDCD1LG2PDCD1
SCHEMBL24613139 0.82 CD274 (0.48) CD274PDCD1LG2PDCD1
SCHEMBL23948967 0.81 PDCD1 (0.45) CD274PDCD1
SCHEMBL23948928 0.81 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL23949426 0.81 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL24613689 0.78 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL23949324 0.77 PDCD1 (0.49) 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-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed