SCHEMBL31353887

SCHEMBL31353887

Cc1c(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cn2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 20/20 0.56
▸ CD274 Q9NZQ7 20/20 0.56

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
SCHEMBL31354281 1.00 PDCD1 (0.56) PDCD1CD274
SCHEMBL30836689 0.93 PDCD1 (0.51) PDCD1CD274
SCHEMBL31354155 0.92 PDCD1 (0.51) PDCD1CD274
SCHEMBL23002503 0.85 PDCD1 (0.75) PDCD1CD274
SCHEMBL31137942 0.85 PDCD1 (0.75) PDCD1CD274
SCHEMBL31353824 0.83 PDCD1 (0.61) PDCD1CD274
SCHEMBL31108218 0.82 PDCD1 (0.50) PDCD1CD274
SCHEMBL20293685 0.80 LIPE (0.43) PDCD1CD274
SCHEMBL20293732 0.80 LIPE (0.43) PDCD1CD274
SCHEMBL23002530 0.79 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
WO-2025029075-A1 NOVEL BIPHENYL DERIVATIVE AS PD-L1 INHIBITOR (주)아이랩 2025-02-06 — — WO disclosed
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