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Sugi Predict / Compounds / SCHEMBL25966165

SCHEMBL25966165

SCHEMBL25966165

C=NCc1cncc(COc2nc(O[C@H]3CCc4c(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)N7)c(OC)n6)c5Cl)cccc43)c(Cl)cc2CN2CC[C@@H](C(=O)O)C2)c1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.90
▸ CD274 Q9NZQ7 20/20 0.90

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
SCHEMBL21618829 0.95 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618758 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618876 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618828 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL23949591 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618799 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618998 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618736 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL23949022 0.87 PDCD1 (0.97) PDCD1CD274
SCHEMBL23949021 0.87 PDCD1 (0.97) 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-3820572-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2023-08-16 — — EP disclosed