SCHEMBL26332492

SCHEMBL26332492

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(C5)CN(C(C)=O)C6)c(OC)n4)c3Cl)c2Cl)cnc1CN1CC2(CN(C)C2)C1

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.93
▸ PDCD1 Q15116 19/20 0.93
▸ PDCD1LG2 Q9BQ51 1/20 0.68

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
SCHEMBL21322229 0.96 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21322409 0.92 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21322281 0.92 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21322273 0.92 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290794 0.92 CD274 (0.91) CD274PDCD1PDCD1LG2
SCHEMBL21322145 0.92 PDCD1 (1.00) CD274PDCD1
SCHEMBL21322350 0.90 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290821 0.89 CD274 (0.93) CD274PDCD1PDCD1LG2
SCHEMBL21322165 0.89 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21289964 0.88 CD274 (0.92) 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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