SCHEMBL3386908

SCHEMBL3386908

[AsH2]c1ncnc2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.39
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK1 P28482 3/20 0.35
EGFR P00533 11/20 0.34
ERBB2 P04626 10/20 0.34
ERBB3 P21860 10/20 0.34
ERBB4 Q15303 10/20 0.34
BRAF P15056 1/20 0.32
TNNI3K Q59H18 1/20 0.32
MAP4K4 O95819 1/20 0.31

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
SCHEMBL13186164 0.74 DYRK1A (0.59) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL1056424 0.74 DYRK1A (0.59) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL32425027 0.74 DYRK1A (1.00) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL2078428 0.74 DYRK1A (0.59) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL397656 0.74 DYRK1A (0.59) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL23158613 0.74 DYRK1A (0.64) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL8223 0.74 DYRK1A (1.00) DYRK1AIRAK4EIF4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL3353317 0.72 DYRK1A (0.57) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL16809892 0.71 DYRK1A (0.55) DYRK1AIRAK4EIF4EMKNK1MKNK2
SCHEMBL15612939 0.69 DYRK1A (0.53) DYRK1AIRAK4EIF4EMKNK1MKNK2

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-2010036910-A1 HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR OHTA YOSHIKAZU (JP) 2010-04-01 WO disclosed