SCHEMBL24613367

SCHEMBL24613367

C=C/C(=C\C=C(/C)OCCNC[C@@H](O)CC(=O)O)c1cccc(-c2cccc3c2CC[C@@H]3Oc2ccc(CNC[C@@H](O)CC(=O)O)c(OCc3cncc(C#N)c3)n2)c1C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.53
PDCD1 Q15116 9/20 0.46

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
SCHEMBL23949692 0.85 CD274 (0.61) CD274PDCD1
SCHEMBL23949767 0.83 CD274 (0.58) CD274PDCD1
SCHEMBL23949117 0.80 CD274 (0.61) CD274PDCD1
SCHEMBL23949677 0.79 CD274 (0.63) CD274PDCD1
SCHEMBL29289684 0.78 CD274 (0.59) CD274PDCD1
SCHEMBL29289679 0.78 CD274 (0.59) CD274PDCD1
SCHEMBL23961498 0.78 CD274 (0.60) CD274PDCD1
SCHEMBL23949003 0.78 CD274 (0.66) CD274PDCD1
SCHEMBL23949244 0.77 CD274 (0.68) CD274PDCD1
SCHEMBL20540195 0.77 CD274 (0.68) 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