Sugi Predict

Sugi Predict / Compounds / SCHEMBL26328595

SCHEMBL26328595

SCHEMBL26328595

C=C1CC[C@@H](CNCc2ccc(-c3cccc(-c4cccc(-c5cnc(CN6CC(C)(O)C6)c(OC)n5)c4Cl)c3Cl)nc2OC)N1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.85
▸ CD274 Q9NZQ7 20/20 0.85

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
SCHEMBL21291044 0.92 PDCD1 (1.00) PDCD1CD274
SCHEMBL26328604 0.90 PDCD1 (0.77) PDCD1CD274
SCHEMBL26328629 0.89 CD274 (0.79) PDCD1CD274
SCHEMBL26321439 0.89 PDCD1 (0.84) PDCD1CD274
SCHEMBL26319447 0.87 PDCD1 (0.84) PDCD1CD274
SCHEMBL26320477 0.87 PDCD1 (0.84) PDCD1CD274
SCHEMBL26319300 0.87 PDCD1 (0.84) PDCD1CD274
SCHEMBL26328963 0.86 CD274 (0.75) PDCD1CD274
SCHEMBL21290926 0.86 PDCD1 (1.00) PDCD1CD274
SCHEMBL21290025 0.86 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