SCHEMBL27036633

SCHEMBL27036633

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CN(C[C@@H]1CCC(=O)N1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 5/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ IRAK4 Q9NWZ3 9/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ PDCD1LG2 Q9BQ51 4/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ IRAK1 P51617 1/20 0.32

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
SCHEMBL27131394 1.00 CD274 (0.36) CD274PDCD1CSF1RIRAK4KCNA5
SCHEMBL29983594 0.89 PRMT5 (0.38) CD274PDCD1CSF1RIRAK4KCNA5
SCHEMBL27081011 0.87 PDCD1 (0.33) CD274PDCD1CSF1RIRAK4KCNA5
SCHEMBL27082143 0.83 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL27082149 0.83 CD274 (0.39) CD274PDCD1PDCD1LG2
SCHEMBL27147971 0.81 CD274 (0.40) CD274PDCD1IRAK4KCNA5MAPK1
SCHEMBL27036518 0.81 CD274 (0.40) CD274PDCD1IRAK4KCNA5MAPK1
SCHEMBL23726312 0.76 CD274 (0.51) CD274PDCD1PDCD1LG2
SCHEMBL23200203 0.75 AAK1 (0.38) KCNA5BACE1
SCHEMBL23727266 0.74 CD274 (0.54) CD274PDCD1PDCD1LG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134466-A1 SUBSTITUTED ARYLAMINE COMPOUNDS, SUBSTITUTED HETEROARYLAMINE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-06-27 — — WO disclosed
WO-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 — — WO disclosed
EP-4313968-A2 SUBSTITUTED 1-ARYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1'-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2024-02-07 — — EP disclosed
WO-2024018403-A1 SUBSTITUTED IMIDAZOAMIDE COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-01-25 — — WO disclosed
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