SCHEMBL30529832

SCHEMBL30529832

COc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC(O)C5)c(OC)n4)c3Br)c2Br)cnc1CN1CC(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 1.00
▸ CD274 Q9NZQ7 20/20 1.00

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
SCHEMBL21274269 1.00 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290474 0.95 CD274 (1.00) PDCD1CD274
SCHEMBL21290898 0.94 PDCD1 (1.00) PDCD1CD274
SCHEMBL26318580 0.93 PDCD1 (0.86) PDCD1CD274
SCHEMBL21290633 0.87 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290607 0.82 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290984 0.82 PDCD1 (1.00) PDCD1CD274
SCHEMBL23103156 0.81 CD274 (0.75) PDCD1CD274
SCHEMBL21290969 0.81 CD274 (1.00) PDCD1CD274
SCHEMBL26309864 0.81 PDCD1 (0.86) 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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