SCHEMBL26341732

SCHEMBL26341732

COc1nc(-c2cccc(-c3cccc(-c4cnc(C5=NC[C@H](C)N5)c(OC)n4)c3Cl)c2Cl)ccc1CNCC1CCC(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 1.00
▸ PDCD1 Q15116 11/20 1.00
▸ PDCD1LG2 Q9BQ51 9/20 0.74

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
SCHEMBL26341745 1.00 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290117 1.00 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290110 1.00 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290118 0.92 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290108 0.92 PDCD1 (1.00) CD274PDCD1
SCHEMBL26341762 0.89 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290111 0.89 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21274561 0.86 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21274560 0.86 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21507031 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
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