SCHEMBL24613255

SCHEMBL24613255

COc1cc(-c2cccc(-c3cccc(-c4ccc(CNCC5CCC(=O)N5)c(OC)c4)c3Br)c2Br)ccc1CNCC1CCC(=O)N1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.82
PDCD1 Q15116 3/20 0.82
PDCD1LG2 Q9BQ51 17/20 0.67

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
SCHEMBL23949705 1.00 CD274 (0.82) CD274PDCD1PDCD1LG2
SCHEMBL24613690 0.89 CD274 (0.82) CD274PDCD1PDCD1LG2
SCHEMBL23948832 0.89 CD274 (0.82) CD274PDCD1PDCD1LG2
SCHEMBL24613385 0.89 CD274 (0.82) CD274PDCD1PDCD1LG2
SCHEMBL23604385 0.85 CD274 (0.70) CD274PDCD1PDCD1LG2
SCHEMBL25963581 0.84 CD274 (0.75) CD274PDCD1PDCD1LG2
SCHEMBL27080099 0.84 CD274 (0.66) CD274PDCD1PDCD1LG2
SCHEMBL27080103 0.84 CD274 (0.66) CD274PDCD1PDCD1LG2
SCHEMBL24613772 0.81 CD274 (0.71) CD274PDCD1PDCD1LG2
SCHEMBL25965651 0.81 CD274 (0.71) 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