SCHEMBL24613399

SCHEMBL24613399

CNC(CCC=O)CNCc1ccc(-c2cccc(-c3cccc(COc4nc(OCc5cncc(C#N)c5)c(CNCC5CCC(=O)N5)cc4Br)c3Cl)c2Cl)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.52
PDCD1 Q15116 9/20 0.52
PDCD1LG2 Q9BQ51 10/20 0.50

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
SCHEMBL24613497 0.92 CD274 (0.61) CD274PDCD1PDCD1LG2
SCHEMBL23949405 0.92 CD274 (0.61) CD274PDCD1PDCD1LG2
SCHEMBL23948852 0.84 CD274 (0.54) CD274PDCD1PDCD1LG2
SCHEMBL24613372 0.84 CD274 (0.54) CD274PDCD1PDCD1LG2
SCHEMBL24613680 0.84 CD274 (0.54) CD274PDCD1PDCD1LG2
SCHEMBL24613366 0.81 CD274 (0.74) CD274PDCD1PDCD1LG2
SCHEMBL23949720 0.81 CD274 (0.74) CD274PDCD1PDCD1LG2
SCHEMBL23949415 0.78 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL24613538 0.78 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL24613679 0.77 CD274 (0.55) 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