SCHEMBL23200236

SCHEMBL23200236

COc1nc(-c2cccc(-c3cccc(NC(=O)c4cc(OC(F)F)c5c(n4)CN(CCO[Si](C)(C)C(C)(C)C)CC5)c3Cl)c2Cl)cnc1CN1CCC(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.53
▸ CD274 Q9NZQ7 20/20 0.53

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
SCHEMBL23202743 0.93 PDCD1 (0.47) PDCD1CD274
SCHEMBL24722364 0.92 PDCD1 (0.56) PDCD1CD274
SCHEMBL23199757 0.92 PDCD1 (0.59) PDCD1CD274
SCHEMBL23198558 0.91 PDCD1 (0.55) PDCD1CD274
SCHEMBL24722490 0.91 PDCD1 (0.41) PDCD1CD274
SCHEMBL23199840 0.91 PDCD1 (0.44) PDCD1CD274
SCHEMBL23198491 0.89 PDCD1 (0.50) PDCD1CD274
SCHEMBL23201298 0.88 PDCD1 (0.53) PDCD1CD274
SCHEMBL23199119 0.88 PDCD1 (0.51) PDCD1CD274
SCHEMBL24759064 0.87 CD274 (0.40) 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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