SCHEMBL26318915

SCHEMBL26318915

COc1nc(-c2cccc(-c3cccc(-c4cnc(CNCCCC(=O)O)c(OC)n4)c3Cl)c2Cl)cnc1CNCCCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.73
▸ CD274 Q9NZQ7 20/20 0.73

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
SCHEMBL21290730 0.85 CD274 (1.00) PDCD1CD274
SCHEMBL21290034 0.82 CD274 (1.00) PDCD1CD274
SCHEMBL21322258 0.82 PDCD1 (0.68) PDCD1CD274
SCHEMBL21290651 0.82 CD274 (1.00) PDCD1CD274
SCHEMBL26338694 0.81 CD274 (0.77) PDCD1CD274
SCHEMBL21289968 0.80 CD274 (1.00) PDCD1CD274
SCHEMBL21289961 0.80 PDCD1 (1.00) PDCD1CD274
SCHEMBL26339692 0.80 PDCD1 (0.74) PDCD1CD274
SCHEMBL23200379 0.78 CD274 (0.86) PDCD1CD274
SCHEMBL21289980 0.78 CD274 (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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