SCHEMBL26331307

SCHEMBL26331307

COc1nc(-c2cccc(C3=C(Cl)C(c4cnc(CN5CC(O)C5)c(OC)n4)=CCC3)c2Cl)ccc1C1=NCCN1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.79
▸ PDCD1 Q15116 18/20 0.79
▸ PDCD1LG2 Q9BQ51 2/20 0.53

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
SCHEMBL21290691 0.88 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290633 0.75 PDCD1 (1.00) CD274PDCD1
SCHEMBL21291129 0.74 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290684 0.73 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290969 0.73 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL30486766 0.72 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21507291 0.72 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290607 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290984 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL26318631 0.71 CD274 (0.79) 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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