SCHEMBL24613595

SCHEMBL24613595

C=C(c1nc(OC)c(CNC[C@@H](O)CC(=O)O)cc1Br)[C@H]1CCc2c(-c3cccc4c3CC[C@@H]4Oc3nc(OC)c(CNC[C@@H](O)CC(=O)O)cc3Br)cccc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.60
PDCD1 Q15116 16/20 0.60
PDCD1LG2 Q9BQ51 4/20 0.47

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
SCHEMBL29724584 0.91 CD274 (0.67) CD274PDCD1PDCD1LG2
SCHEMBL20539932 0.91 CD274 (0.67) CD274PDCD1PDCD1LG2
SCHEMBL23949621 0.91 CD274 (0.67) CD274PDCD1PDCD1LG2
SCHEMBL23949603 0.91 CD274 (0.67) CD274PDCD1PDCD1LG2
SCHEMBL20539258 0.88 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL20539260 0.88 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL24613490 0.82 CD274 (0.80) CD274PDCD1PDCD1LG2
SCHEMBL20539997 0.82 CD274 (0.80) CD274PDCD1PDCD1LG2
SCHEMBL23948910 0.82 CD274 (0.80) CD274PDCD1PDCD1LG2
SCHEMBL23949440 0.82 CD274 (0.80) 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