SCHEMBL24613680

SCHEMBL24613680

N#Cc1cncc(COc2nc(OCc3cccc(-c4cccc(-c5ccc(CNC[C@@H]6CCC(=O)N6)cc5)c4Cl)c3Cl)c(Br)cc2CNCC2CCC(=O)N2)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.54
PDCD1LG2 Q9BQ51 8/20 0.53
PDCD1 Q15116 9/20 0.52

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
SCHEMBL24613372 1.00 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL23948852 1.00 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL23949405 0.92 CD274 (0.61) CD274PDCD1LG2PDCD1
SCHEMBL24613497 0.92 CD274 (0.61) CD274PDCD1LG2PDCD1
SCHEMBL24613679 0.89 CD274 (0.55) CD274PDCD1LG2PDCD1
SCHEMBL23949708 0.86 CD274 (0.71) CD274PDCD1LG2PDCD1
SCHEMBL24613354 0.86 CD274 (0.71) CD274PDCD1LG2PDCD1
SCHEMBL24613399 0.84 CD274 (0.52) CD274PDCD1LG2PDCD1
SCHEMBL23949415 0.84 CD274 (0.65) CD274PDCD1LG2PDCD1
SCHEMBL24613538 0.84 CD274 (0.65) 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