SCHEMBL23200166

SCHEMBL23200166

COc1nc(-c2cccc(-c3cccc(NC(=O)c4cc(C)c5c(n4)CN(CCO[Si](C)(C)C(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
SCHEMBL23200109 0.95 PDCD1 (0.47) PDCD1CD274
SCHEMBL24758728 0.93 PDCD1 (0.48) PDCD1CD274
SCHEMBL24759080 0.92 PDCD1 (0.49) PDCD1CD274
SCHEMBL23202675 0.91 PDCD1 (0.41) PDCD1CD274
SCHEMBL23198763 0.91 PDCD1 (0.52) PDCD1CD274
SCHEMBL23199860 0.90 PDCD1 (0.49) PDCD1CD274
SCHEMBL24722529 0.90 PDCD1 (0.46) PDCD1CD274
SCHEMBL23201298 0.90 PDCD1 (0.53) PDCD1CD274
SCHEMBL23202634 0.88 PDCD1 (0.52) PDCD1CD274
SCHEMBL24722601 0.88 PDCD1 (0.49) 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
WO-2021063404-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-04-08 — — WO disclosed
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