Sugi Predict

Sugi Predict / Compounds / SCHEMBL25965756

SCHEMBL25965756

SCHEMBL25965756

COc1nc(-c2cccc(-c3cccc4c3CC[C@@H]4Oc3nc(OCc4cncc(Cl)c4)c(CN4CCCCC4CCCC(=O)O)cc3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.76
▸ CD274 Q9NZQ7 20/20 0.76

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
SCHEMBL25965460 0.95 PDCD1 (0.76) PDCD1CD274
SCHEMBL26057574 0.95 PDCD1 (0.69) PDCD1CD274
SCHEMBL25966186 0.94 PDCD1 (0.77) PDCD1CD274
SCHEMBL26057364 0.92 PDCD1 (0.75) PDCD1CD274
SCHEMBL25965409 0.92 PDCD1 (0.76) PDCD1CD274
SCHEMBL26057453 0.90 PDCD1 (0.75) PDCD1CD274
SCHEMBL26057468 0.90 PDCD1 (0.77) PDCD1CD274
SCHEMBL25965380 0.89 PDCD1 (0.77) PDCD1CD274
SCHEMBL21618829 0.86 PDCD1 (1.00) PDCD1CD274
SCHEMBL21618622 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 — — EP disclosed
EP-3820572-B1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES INC (US) 2023-08-16 — — EP disclosed