SCHEMBL23202607

SCHEMBL23202607

COc1nc(-c2cccc(-c3cccc(NC(=O)c4cc(C)c5c(n4)CN(C(=O)OC(C)(C)C)CC5)c3Cl)c2C)cnc1CN1CC(O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.43
▸ CD274 Q9NZQ7 20/20 0.43

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
SCHEMBL23198769 0.97 PDCD1 (0.46) PDCD1CD274
SCHEMBL23198544 0.92 PDCD1 (0.46) PDCD1CD274
SCHEMBL24758732 0.92 PDCD1 (0.47) PDCD1CD274
SCHEMBL23199020 0.92 PDCD1 (0.48) PDCD1CD274
SCHEMBL23198543 0.88 PDCD1 (0.49) PDCD1CD274
SCHEMBL24722529 0.86 PDCD1 (0.46) PDCD1CD274
SCHEMBL23202542 0.86 PDCD1 (0.46) PDCD1CD274
SCHEMBL24722401 0.86 PDCD1 (0.46) PDCD1CD274
SCHEMBL23198521 0.86 PDCD1 (0.46) PDCD1CD274
SCHEMBL24759636 0.85 PDCD1 (0.46) 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-4043461-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-08-17 — — EP disclosed
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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