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Sugi Predict / Compounds / SCHEMBL30836596

SCHEMBL30836596

SCHEMBL30836596

COc1nc(-c2ccnc(-c3cccc(NC(=O)c4cnc(CN(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)cn4)c3C)c2Cl)cnc1CN(C[C@@H]1CCC(=O)N1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.44
▸ CD274 Q9NZQ7 20/20 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
SCHEMBL30836611 0.93 CD274 (0.41) PDCD1CD274
SCHEMBL30836688 0.87 CD274 (0.41) PDCD1CD274
SCHEMBL30836595 0.86 PDCD1 (0.52) PDCD1CD274
SCHEMBL30836716 0.83 CD274 (0.38) PDCD1CD274
SCHEMBL30836718 0.83 CD274 (0.38) PDCD1CD274
SCHEMBL30836713 0.82 CD274 (0.38) PDCD1CD274
SCHEMBL30836737 0.82 CD274 (0.40) PDCD1CD274
SCHEMBL30836655 0.82 PDCD1 (0.48) PDCD1CD274
SCHEMBL30836597 0.79 CD274 (0.44) PDCD1CD274
SCHEMBL30836691 0.79 CD274 (0.44) PDCD1CD274

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