SCHEMBL21290582

SCHEMBL21290582

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(OC)n4)c3Cl)c2F)cnc1CN1CC2(CC[S+]([O-])N2)C1

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
SCHEMBL21290581 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290637 0.88 PDCD1 (1.00) PDCD1CD274
SCHEMBL21291114 0.87 CD274 (1.00) PDCD1CD274
SCHEMBL21290550 0.87 CD274 (1.00) PDCD1CD274
SCHEMBL21290544 0.86 CD274 (1.00) PDCD1CD274
SCHEMBL26329726 0.84 PDCD1 (0.84) PDCD1CD274
SCHEMBL21290996 0.84 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290022 0.83 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290900 0.83 PDCD1 (1.00) PDCD1CD274
SCHEMBL25610028 0.83 PDCD1 (0.90) 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
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 — — WO disclosed
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