SCHEMBL26328963

SCHEMBL26328963

C=C1CC[C@@H](CNCc2ccc(-c3cccc(-c4cccc(-c5cnc(CNCC6CCC6)c(OC)n5)c4Cl)c3Cl)nc2OC)N1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 20/20 0.75
PDCD1 Q15116 17/20 0.75
PDCD1LG2 Q9BQ51 3/20 0.64

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
SCHEMBL26320927 0.94 PDCD1 (0.76) CD274PDCD1
SCHEMBL26319606 0.93 PDCD1 (0.76) CD274PDCD1
SCHEMBL26320947 0.91 PDCD1 (0.81) CD274PDCD1
SCHEMBL26341929 0.91 CD274 (0.91) CD274PDCD1PDCD1LG2
SCHEMBL26319300 0.88 PDCD1 (0.84) CD274PDCD1
SCHEMBL26321881 0.87 PDCD1 (0.82) CD274PDCD1
SCHEMBL26321912 0.87 PDCD1 (0.77) CD274PDCD1
SCHEMBL26317863 0.86 PDCD1 (0.75) CD274PDCD1
SCHEMBL21274561 0.86 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21274560 0.86 CD274 (1.00) 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-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 EP disclosed