SCHEMBL30836714

SCHEMBL30836714

COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ccc(CN(C[C@@H]5CCO5)C(=O)OC(C)(C)C)cn4)c3C)c2Cl)ccc1CO

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.37
▸ PDCD1 Q15116 19/20 0.37
▸ PDCD1LG2 Q9BQ51 1/20 0.34

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
SCHEMBL30836722 0.93 CD274 (0.40) CD274PDCD1PDCD1LG2
SCHEMBL30836588 0.91 PDCD1 (0.36) CD274PDCD1
SCHEMBL29983870 0.85 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL30836684 0.85 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL30836781 0.85 CD274 (0.45) CD274PDCD1PDCD1LG2
SCHEMBL29983840 0.84 CD274 (0.43) CD274PDCD1PDCD1LG2
SCHEMBL27082253 0.83 CD274 (0.42) CD274PDCD1PDCD1LG2
SCHEMBL30836265 0.81 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836438 0.81 CD274 (0.46) CD274PDCD1PDCD1LG2
SCHEMBL30836245 0.81 CD274 (0.46) 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
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