SCHEMBL3395974

SCHEMBL3395974

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Oc2cc(-c3cncnc3)cnc2Cl)SC[C@H]1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 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
SCHEMBL315594 1.00 JAK2 (0.31) JAK2
SCHEMBL3395477 0.88 JAK2 (0.31) JAK2
SCHEMBL315288 0.88 JAK2 (0.31) JAK2
SCHEMBL314156 0.86 F2R (0.32)
SCHEMBL314155 0.86 F2R (0.32)
SCHEMBL2407398 0.86 KMO (0.34) JAK2
SCHEMBL2407402 0.86 KMO (0.34) JAK2
SCHEMBL314645 0.84 OPRK1 (0.32)
SCHEMBL314644 0.84 OPRK1 (0.32)
SCHEMBL1973746 0.84

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