SCHEMBL21496984

SCHEMBL21496984

COc1nc(-c2cccc(Br)c2Cl)ccc1CCN(C[C@@H]1CCC(=O)N1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.56
PDCD1LG2 Q9BQ51 18/20 0.56
PDCD1 Q15116 2/20 0.52

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
SCHEMBL23724890 0.92 CD274 (0.57) CD274PDCD1LG2PDCD1
SCHEMBL25175600 0.92 CD274 (0.57) CD274PDCD1LG2PDCD1
SCHEMBL23727030 0.91 CD274 (0.60) CD274PDCD1LG2PDCD1
SCHEMBL25172047 0.91 CD274 (0.60) CD274PDCD1LG2PDCD1
SCHEMBL23725822 0.84 CD274 (0.54) CD274PDCD1LG2PDCD1
SCHEMBL23725246 0.83 PDCD1 (0.70) CD274PDCD1
SCHEMBL23726005 0.82 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL23726118 0.82 CD274 (0.56) CD274PDCD1LG2PDCD1
SCHEMBL21496983 0.82 CD274 (0.59) CD274PDCD1LG2PDCD1
SCHEMBL21544593 0.82 CD274 (0.59) 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-3781556-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-24 EP disclosed
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 WO disclosed