SCHEMBL26329067

SCHEMBL26329067

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC[C@@H](C)C5)c(OC)n4)c3Cl)c2Cl)cnc1CN1CC[C@@H](C)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.81
▸ CD274 Q9NZQ7 20/20 0.81

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
SCHEMBL26318678 0.91 PDCD1 (0.85) PDCD1CD274
SCHEMBL21290639 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL26331533 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290647 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL26320179 0.89 PDCD1 (0.68) PDCD1CD274
SCHEMBL26332854 0.89 PDCD1 (0.68) PDCD1CD274
SCHEMBL21290527 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290533 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL26338520 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21322383 0.86 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
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