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Sugi Predict / Compounds / SCHEMBL24613261

SCHEMBL24613261

SCHEMBL24613261

COc1nc(O[C@H]2CCc3c(-c4cccc(-c5cnc(CN(C)CC6(C)CN(C(C)=O)C6)c(OC)n5)c4Cl)cccc32)c(Cl)cc1CN1CC[C@@H](C(=O)O)C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.70
▸ CD274 Q9NZQ7 20/20 0.70

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
SCHEMBL23949437 0.90 PDCD1 (0.75) PDCD1CD274
SCHEMBL23949436 0.88 PDCD1 (0.73) PDCD1CD274
SCHEMBL23948870 0.87 PDCD1 (0.79) PDCD1CD274
SCHEMBL23949139 0.87 PDCD1 (0.88) PDCD1CD274
SCHEMBL23949031 0.85 PDCD1 (0.75) PDCD1CD274
SCHEMBL23949434 0.84 PDCD1 (0.74) PDCD1CD274
SCHEMBL21618926 0.82 PDCD1 (1.00) PDCD1CD274
SCHEMBL23948882 0.82 PDCD1 (0.76) PDCD1CD274
SCHEMBL23949027 0.82 PDCD1 (0.88) PDCD1CD274
SCHEMBL24613556 0.82 PDCD1 (0.72) 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