SCHEMBL24613656

SCHEMBL24613656

CNc1cc(COc2nc(OCc3cccc(-c4cccc(-c5ccc(OCCNCCO)cc5)c4C)c3C)c(Cl)cc2CN[C@@](C)(CO)C(=O)O)cc(NC)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.43
PDCD1 Q15116 11/20 0.43
PDCD1LG2 Q9BQ51 2/20 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
SCHEMBL23949529 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL24613332 0.91 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL23949453 0.88 CD274 (0.59) CD274PDCD1
SCHEMBL23949444 0.88 CD274 (0.59) CD274PDCD1
SCHEMBL23949401 0.87 CD274 (0.48) CD274PDCD1
SCHEMBL24613213 0.86 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL20539415 0.83 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL29724544 0.83 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL23948968 0.83 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL24613685 0.82 CD274 (0.45) 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