SCHEMBL8216745

SCHEMBL8216745

CC(C)(O)CNc1ncc(-c2cnc3[nH]ccc3n2)c(N([C@H]2CCCNC2)S(C)(=O)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.56
JAK3 P52333 17/20 0.56
JAK1 P23458 4/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL8216749 1.00 JAK2 (0.56) JAK2JAK3JAK1ALOX5APFEN1
SCHEMBL8222508 0.89 JAK2 (0.55) JAK2JAK3JAK1ALOX5APFEN1
SCHEMBL6525003 0.89 JAK2 (0.55) JAK2JAK3JAK1ALOX5APFEN1
SCHEMBL8224443 0.84 ALOX5AP (0.43) JAK2JAK3JAK1ALOX5APFEN1
SCHEMBL8224445 0.84 ALOX5AP (0.43) JAK2JAK3JAK1ALOX5APFEN1
SCHEMBL6520499 0.84 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL6525499 0.84 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL8223240 0.84 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL8220476 0.84 JAK2 (0.57) JAK2JAK3JAK1
SCHEMBL8219667 0.81 JAK2 (0.53) JAK2JAK3JAK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475667-A1 INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed