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Sugi Predict / Compounds / SCHEMBL30836718

SCHEMBL30836718

SCHEMBL30836718

COc1nc(-c2ccnc(-c3cccc(NC(=O)c4ncc(CN(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)c5c4CCC5)c3C)c2Cl)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.38
▸ PDCD1LG2 Q9BQ51 12/20 0.38
▸ PDCD1 Q15116 8/20 0.37

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
SCHEMBL30836716 0.92 CD274 (0.38) CD274PDCD1LG2PDCD1
SCHEMBL30836688 0.92 CD274 (0.41) CD274PDCD1LG2PDCD1
SCHEMBL30836611 0.90 CD274 (0.41) CD274PDCD1LG2PDCD1
SCHEMBL30836713 0.86 CD274 (0.38) CD274PDCD1LG2PDCD1
SCHEMBL30836737 0.86 CD274 (0.40) CD274PDCD1LG2PDCD1
SCHEMBL30836691 0.84 CD274 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL29143954 0.84 CD274 (0.43) CD274PDCD1LG2PDCD1
SCHEMBL30836720 0.84 CD274 (0.41) CD274PDCD1LG2PDCD1
SCHEMBL30836602 0.83 CD274 (0.44) CD274PDCD1LG2PDCD1
SCHEMBL30836600 0.83 CD274 (0.44) 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
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