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Sugi Predict / Compounds / SCHEMBL24613751

SCHEMBL24613751

SCHEMBL24613751

COc1nc(-c2cccc(-c3cccc4c3CC[C@@H]4Oc3nc(OCc4cncc(C)c4)c(CN[C@@](C)(CO)C(=O)O)cc3Br)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.77
▸ CD274 Q9NZQ7 20/20 0.77

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
SCHEMBL23949466 0.93 PDCD1 (0.73) PDCD1CD274
SCHEMBL23961389 0.93 PDCD1 (0.73) PDCD1CD274
SCHEMBL23961524 0.89 PDCD1 (0.70) PDCD1CD274
SCHEMBL23949443 0.89 PDCD1 (0.70) PDCD1CD274
SCHEMBL23961402 0.89 PDCD1 (0.66) PDCD1CD274
SCHEMBL23949459 0.89 PDCD1 (0.66) PDCD1CD274
SCHEMBL22924715 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21619016 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL23949751 0.87 PDCD1 (0.90) PDCD1CD274
SCHEMBL23948985 0.87 PDCD1 (0.90) 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-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed