SCHEMBL26328748

SCHEMBL26328748

C=C1CC[C@@H](CNCc2ccc(-c3cccc(-c4cccc(-c5cnc(C6=NCCN6)c(OC)n5)c4Cl)c3Cl)nc2OC)N1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.84
▸ PDCD1 Q15116 14/20 0.84
▸ PDCD1LG2 Q9BQ51 6/20 0.69

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
SCHEMBL26341762 0.91 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290111 0.91 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26318669 0.87 CD274 (0.84) CD274PDCD1PDCD1LG2
SCHEMBL26328963 0.82 CD274 (0.75) CD274PDCD1PDCD1LG2
SCHEMBL21507334 0.81 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290117 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26341732 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290110 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL26341745 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21289963 0.80 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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