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Sugi Predict / Compounds / SCHEMBL24613358

SCHEMBL24613358

SCHEMBL24613358

CC(CO)(NCc1ccc(O[C@H]2CCc3c(-c4cccc5c4CC[C@@H]5Oc4nc(OCc5cncc(C#N)c5)c(CNC(C)(CO)C(=O)O)cc4Cl)cccc32)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 0.73
▸ PDCD1 Q15116 9/20 0.73

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
SCHEMBL23949449 1.00 CD274 (0.73) CD274PDCD1
SCHEMBL23949448 1.00 CD274 (0.73) CD274PDCD1
SCHEMBL23949827 0.97 CD274 (0.69) CD274PDCD1
SCHEMBL32930878 0.92 CD274 (0.73) CD274PDCD1
SCHEMBL20540161 0.92 CD274 (0.73) CD274PDCD1
SCHEMBL23924390 0.92 CD274 (0.73) CD274PDCD1
SCHEMBL20540158 0.92 CD274 (0.73) CD274PDCD1
SCHEMBL23949683 0.89 CD274 (0.72) CD274PDCD1
SCHEMBL23949684 0.89 CD274 (0.72) CD274PDCD1
SCHEMBL23949004 0.88 CD274 (0.65) 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