SCHEMBL27080871

SCHEMBL27080871

COc1nc(-c2cccc(-c3ccnc(-c4cc5c(=O)n(C)c(C=O)nn5c4)c3Cl)c2Cl)ccc1CN(CC1CCC(=O)N1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.45
▸ PDCD1LG2 Q9BQ51 18/20 0.45
▸ PDCD1 Q15116 2/20 0.45

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
SCHEMBL23725879 0.94 PDCD1LG2 (0.49) CD274PDCD1LG2
SCHEMBL23726019 0.94 PDCD1LG2 (0.49) CD274PDCD1LG2
SCHEMBL29984179 0.93 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL27079984 0.92 CD274 (0.46) CD274PDCD1LG2PDCD1
SCHEMBL27080726 0.92 CD274 (0.46) CD274PDCD1LG2PDCD1
SCHEMBL27081083 0.90 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27081095 0.90 CD274 (0.53) CD274PDCD1LG2PDCD1
SCHEMBL27080679 0.88 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL27080669 0.88 CD274 (0.49) CD274PDCD1LG2PDCD1
SCHEMBL27080673 0.88 CD274 (0.49) CD274PDCD1LG2PDCD1

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-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 — — EP disclosed
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