SCHEMBL25965651

SCHEMBL25965651

COc1cc(-c2cccc(-c3cccc4c3CCC4)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.71
PDCD1LG2 Q9BQ51 18/20 0.71
PDCD1 Q15116 2/20 0.68

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
SCHEMBL24613772 1.00 CD274 (0.71) CD274PDCD1LG2PDCD1
SCHEMBL24613690 0.91 CD274 (0.82) CD274PDCD1LG2PDCD1
SCHEMBL24613385 0.91 CD274 (0.82) CD274PDCD1LG2PDCD1
SCHEMBL23948832 0.91 CD274 (0.82) CD274PDCD1LG2PDCD1
SCHEMBL23961391 0.90 CD274 (0.69) CD274PDCD1LG2PDCD1
SCHEMBL24613436 0.90 CD274 (0.69) CD274PDCD1LG2PDCD1
SCHEMBL24613845 0.89 CD274 (0.65) CD274PDCD1LG2PDCD1
SCHEMBL25967162 0.89 CD274 (0.65) CD274PDCD1LG2PDCD1
SCHEMBL23961475 0.88 CD274 (0.60) CD274PDCD1LG2PDCD1
SCHEMBL23961418 0.88 CD274 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
EP-3820572-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2023-08-16 EP disclosed