Sugi Predict

Sugi Predict / Compounds / SCHEMBL24722529

SCHEMBL24722529

SCHEMBL24722529

COc1nc(-c2cccc(-c3cccc(NC(=O)c4cc(C)c5c(n4)CN(C(=O)OC(C)(C)C)CC5)c3Cl)c2Cl)cnc1CN1CC(C)(O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.46
▸ CD274 Q9NZQ7 20/20 0.46

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
SCHEMBL24758728 0.92 PDCD1 (0.48) PDCD1CD274
SCHEMBL24758727 0.92 PDCD1 (0.44) PDCD1CD274
SCHEMBL23200166 0.90 PDCD1 (0.46) PDCD1CD274
SCHEMBL23198769 0.90 PDCD1 (0.46) PDCD1CD274
SCHEMBL23202607 0.86 PDCD1 (0.43) PDCD1CD274
SCHEMBL23198544 0.85 PDCD1 (0.46) PDCD1CD274
SCHEMBL23200109 0.85 PDCD1 (0.47) PDCD1CD274
SCHEMBL24758732 0.85 PDCD1 (0.47) PDCD1CD274
SCHEMBL23199020 0.84 PDCD1 (0.48) PDCD1CD274
SCHEMBL23202661 0.83 PDCD1 (0.56) 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-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 — — EP disclosed
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