SCHEMBL3399106

SCHEMBL3399106

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cncc(-c3ccc(F)cn3)c2)SC[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL315022 1.00 DYRK1A (0.31) DYRK1AGRM5
SCHEMBL3395491 0.90 CYP3A4 (0.34)
SCHEMBL315175 0.90 CYP3A4 (0.34)
SCHEMBL2410305 0.89 HPGDS (0.34) GRM5
SCHEMBL2410307 0.89 HPGDS (0.34) GRM5
SCHEMBL315697 0.89 ABL1 (0.33)
SCHEMBL3395494 0.89 ABL1 (0.33)
SCHEMBL3393927 0.87 FYN (0.36) DYRK1A
SCHEMBL316055 0.87 FYN (0.36) DYRK1A
SCHEMBL315159 0.86 CYP11B2 (0.34) DYRK1A

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