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Sugi Predict / Compounds / SCHEMBL26320358

SCHEMBL26320358

SCHEMBL26320358

COc1nc(-c2cccc(-c3cccc(-c4cnc(CNC[C@H]5C[C@@H](O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CNCCC1CC(O)C1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.89
▸ CD274 Q9NZQ7 20/20 0.89

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
SCHEMBL21291017 0.94 PDCD1 (1.00) PDCD1CD274
SCHEMBL26339318 0.94 PDCD1 (1.00) PDCD1CD274
SCHEMBL26333032 0.94 PDCD1 (1.00) PDCD1CD274
SCHEMBL21291020 0.94 PDCD1 (1.00) PDCD1CD274
SCHEMBL26320129 0.90 PDCD1 (0.92) PDCD1CD274
SCHEMBL26339349 0.87 PDCD1 (0.86) PDCD1CD274
SCHEMBL26336981 0.83 PDCD1 (0.79) PDCD1CD274
SCHEMBL26333016 0.83 PDCD1 (0.80) PDCD1CD274
SCHEMBL21290815 0.83 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290065 0.83 PDCD1 (1.00) 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
EP-4227302-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-16 — — EP disclosed