SCHEMBL26322571

SCHEMBL26322571

C=C1CCC2(CN(Cc3ncc(-c4cccc(-c5cccc(-c6cnc(CN7CC8(CCC(=C)N8)C7)c(OC)n6)c5Br)c4F)nc3OC)C2)N1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.81
▸ PDCD1 Q15116 19/20 0.81
▸ PDCD1LG2 Q9BQ51 1/20 0.54

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
SCHEMBL26322530 0.91 PDCD1 (0.82) CD274PDCD1
SCHEMBL21290902 0.90 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26318899 0.85 PDCD1 (0.80) CD274PDCD1
SCHEMBL25775898 0.81 CD274 (0.82) CD274PDCD1PDCD1LG2
SCHEMBL21290900 0.81 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290581 0.80 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290901 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL30529836 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26317991 0.79 PDCD1 (0.82) CD274PDCD1
SCHEMBL26328849 0.78 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-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 — — EP disclosed
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