SCHEMBL26337712

SCHEMBL26337712

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CCC(C(C)(C)O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CN1CCCC1

nearest known ligand 0.93

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.93
▸ CD274 Q9NZQ7 20/20 0.93

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
SCHEMBL21322383 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290874 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290841 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL21322355 0.96 PDCD1 (1.00) PDCD1CD274
SCHEMBL21291119 0.89 PDCD1 (1.00) PDCD1CD274
SCHEMBL26318827 0.86 PDCD1 (0.76) PDCD1CD274
SCHEMBL21290983 0.85 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290859 0.84 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290639 0.83 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290647 0.83 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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