SCHEMBL28776802

SCHEMBL28776802

CC(O)C(NC(=O)NC(CCC(=O)O)c1nc(C2(N)CC(CO)C2)no1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.47
VSIR Q9H7M9 3/20 0.47
PDCD1LG2 Q9BQ51 2/20 0.35
PDCD1 Q15116 1/20 0.33
SRC P12931 1/20 0.31

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
SCHEMBL28776810 1.00 CD274 (0.47) CD274VSIRPDCD1LG2PDCD1SRC
SCHEMBL28776794 1.00 CD274 (0.47) CD274VSIRPDCD1LG2PDCD1SRC
SCHEMBL28776875 0.88 CD274 (0.62) CD274VSIRPDCD1LG2PDCD1
SCHEMBL28776872 0.88 CD274 (0.62) CD274VSIRPDCD1LG2PDCD1
SCHEMBL28776811 0.83 CD274 (0.38) CD274VSIRPDCD1LG2PDCD1
SCHEMBL28776816 0.83 CD274 (0.38) CD274VSIRPDCD1LG2PDCD1
SCHEMBL28776825 0.83 CD274 (0.38) CD274VSIRPDCD1LG2PDCD1
SCHEMBL19981155 0.78 VSIR (0.44) CD274VSIRPDCD1LG2PDCD1SRC
SCHEMBL18735738 0.77 CD274 (0.76) CD274VSIRPDCD1LG2PDCD1SRC
SCHEMBL16557042 0.77 CD274 (0.76) CD274VSIRPDCD1LG2PDCD1SRC

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
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 CN disclosed