SCHEMBL26340884

SCHEMBL26340884

COC1=C(CN2CC[C@@H](CO)C2)N(C)CC(c2cccc(-c3cccc(-c4ccc(CN5CC[C@@H](CO)C5)c(OC)n4)c3Cl)c2F)=N1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.67
▸ PDCD1 Q15116 3/20 0.67
▸ PDCD1LG2 Q9BQ51 17/20 0.57

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
SCHEMBL21291117 0.80 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21506875 0.74 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21506872 0.74 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21290527 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL26338520 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL21290533 0.71 PDCD1 (1.00) CD274PDCD1
SCHEMBL21563313 0.71 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21507437 0.71 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL21507436 0.71 CD274 (1.00) CD274PDCD1PDCD1LG2
SCHEMBL23724722 0.70 CD274 (0.67) 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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