SCHEMBL30740232

SCHEMBL30740232

COC(=O)[C@H]1CC[C@H](CN2CCc3c(nc(C(=O)Nc4cccc(-c5cccc(-c6nc7cc(CO)cc(C#N)c7o6)c5C)c4Cl)n3C)C2)CC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.81
▸ CD274 Q9NZQ7 20/20 0.81

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
SCHEMBL20326727 1.00 PDCD1 (0.81) PDCD1CD274
SCHEMBL20305827 1.00 PDCD1 (0.81) PDCD1CD274
SCHEMBL20305828 1.00 PDCD1 (0.81) PDCD1CD274
SCHEMBL30740206 0.92 PDCD1 (0.75) PDCD1CD274
SCHEMBL20296135 0.92 PDCD1 (0.75) PDCD1CD274
SCHEMBL20326905 0.92 PDCD1 (0.75) PDCD1CD274
SCHEMBL20326871 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL20295577 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL21187477 0.90 PDCD1 (1.00) PDCD1CD274
SCHEMBL20296359 0.89 PDCD1 (0.80) 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
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 — — CN disclosed
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