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Sugi Predict / Compounds / SCHEMBL24613409

SCHEMBL24613409

SCHEMBL24613409

Cc1c(COc2nc(OCc3cc(C#N)cc(C#N)c3)c(CNC(C=O)CO)cc2Cl)cccc1-c1cccc(COc2nc(OCc3cc(C#N)cc(C#N)c3)c(CNC(CO)C(=O)O)cc2Cl)c1C

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.59
▸ PDCD1 Q15116 16/20 0.59

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
SCHEMBL24613650 0.94 CD274 (0.66) CD274PDCD1
SCHEMBL20539413 0.94 CD274 (0.66) CD274PDCD1
SCHEMBL23948746 0.94 CD274 (0.66) CD274PDCD1
SCHEMBL23948940 0.91 CD274 (0.62) CD274PDCD1
SCHEMBL20539714 0.82 PDCD1 (0.47) CD274PDCD1
SCHEMBL20539841 0.81 CD274 (0.58) CD274PDCD1
SCHEMBL23949243 0.81 CD274 (0.58) CD274PDCD1
SCHEMBL20539540 0.80 CD274 (0.53) CD274PDCD1
SCHEMBL23948923 0.80 CD274 (0.53) CD274PDCD1
SCHEMBL23949324 0.79 PDCD1 (0.49) CD274PDCD1

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 — — EP disclosed