SCHEMBL3401124

SCHEMBL3401124

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3cnn(C)c3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
INPPL1 O15357 1/20 0.37
DYRK1A Q13627 2/20 0.35
GSK3B P49841 1/20 0.35
FGFR3 P22607 9/20 0.35
FGFR1 P11362 7/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP11B2 P19099 1/20 0.34
FGFR2 P21802 2/20 0.33
NTRK1 P04629 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
MET P08581 1/20 0.32
JAK2 O60674 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
SCHEMBL315095 1.00 MKNK1 (0.39) MKNK1MKNK2INPPL1DYRK1AGSK3B
SCHEMBL316064 0.87 CHRNB1 (0.34) MKNK1MKNK2CYP11B2
SCHEMBL316063 0.87 CHRNB1 (0.34) MKNK1MKNK2CYP11B2
SCHEMBL2414409 0.87 WNT1 (0.37) DYRK1AGSK3BFGFR3FGFR2AXL
SCHEMBL2414404 0.87 WNT1 (0.37) DYRK1AGSK3BFGFR3FGFR2AXL
SCHEMBL3399894 0.86 MKNK1 (0.40) MKNK1MKNK2DYRK1AGSK3BCYP11B2
SCHEMBL316434 0.86 MKNK1 (0.40) MKNK1MKNK2DYRK1AGSK3BCYP11B2
SCHEMBL315640 0.85 PIK3CG (0.32) MKNK1MKNK2CYP11B2
SCHEMBL3400268 0.85 PIK3CG (0.32) MKNK1MKNK2CYP11B2
SCHEMBL315665 0.85 MKNK1 (0.33) MKNK1MKNK2CYP11B2

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-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed