SCHEMBL21290829

SCHEMBL21290829

CNC(=O)C1CCN(Cc2ncc(-c3cccc(-c4cccc(-c5cnc(CN6CCC(C(=O)NC)C6)c(OC)n5)c4Cl)c3Cl)nc2OC)C1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.86
▸ CD274 Q9NZQ7 20/20 0.86

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
SCHEMBL21290100 0.93 PDCD1 (1.00) PDCD1CD274
SCHEMBL21322253 0.91 PDCD1 (1.00) PDCD1CD274
SCHEMBL21322386 0.89 PDCD1 (1.00) PDCD1CD274
SCHEMBL26338499 0.89 PDCD1 (1.00) PDCD1CD274
SCHEMBL26336883 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21322254 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290997 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21291131 0.86 CD274 (1.00) PDCD1CD274
SCHEMBL21290533 0.84 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290527 0.84 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 2 patents. 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
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 — — WO disclosed
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