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SCHEMBL26319300

SCHEMBL26319300

C=C1CC[C@@H](CNCc2ncc(-c3cccc(-c4cccc(-c5ccc(CN6CC(O)C6)c(OC)n5)c4Cl)c3Cl)nc2OC)N1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.84
▸ CD274 Q9NZQ7 20/20 0.84

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
SCHEMBL26319418 0.93 PDCD1 (0.83) PDCD1CD274
SCHEMBL21290428 0.91 PDCD1 (1.00) PDCD1CD274
SCHEMBL26322426 0.89 PDCD1 (0.78) PDCD1CD274
SCHEMBL26323018 0.88 PDCD1 (0.84) PDCD1CD274
SCHEMBL26328963 0.88 CD274 (0.75) PDCD1CD274
SCHEMBL26328595 0.87 PDCD1 (0.85) PDCD1CD274
SCHEMBL26319230 0.87 CD274 (0.80) PDCD1CD274
SCHEMBL26319462 0.86 PDCD1 (0.84) PDCD1CD274
SCHEMBL26320947 0.85 PDCD1 (0.81) PDCD1CD274
SCHEMBL26321881 0.85 PDCD1 (0.82) 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