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Sugi Predict / Compounds / SCHEMBL30836801

SCHEMBL30836801

SCHEMBL30836801

COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ccc(CN5CC[C@H](O)C5)cn4)c3Cl)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.47
▸ PDCD1 Q15116 16/20 0.47
▸ PDCD1LG2 Q9BQ51 4/20 0.44

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
SCHEMBL30836675 0.96 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836633 0.96 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836613 0.92 CD274 (0.48) CD274PDCD1PDCD1LG2
SCHEMBL30836654 0.91 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836703 0.91 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836619 0.89 CD274 (0.49) CD274PDCD1PDCD1LG2
SCHEMBL30836765 0.88 CD274 (0.49) CD274PDCD1PDCD1LG2
SCHEMBL30836657 0.88 CD274 (0.45) CD274PDCD1PDCD1LG2
SCHEMBL30836647 0.87 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL30836256 0.87 CD274 (0.60) 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
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 — — WO disclosed