SCHEMBL2278455

SCHEMBL2278455

CS(=O)(=O)OCc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.44
JAK2 O60674 4/20 0.44
HTR6 P50406 4/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
HTR2A P28223 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL2278249 0.89 JAK1 (0.43) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL2224293 0.89 JAK1 (0.46) JAK1JAK2HTR6ALDH1A1TYK2
SCHEMBL2277746 0.88 JAK1 (0.45) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL12384876 0.87 JAK1 (0.46) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL2278047 0.86 JAK2 (0.44) JAK1JAK2HTR6SMN1; SMN2TYK2
SCHEMBL2279733 0.86 JAK1 (0.60) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL2274085 0.85 JAK1 (0.44) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL2276322 0.85 JAK1 (0.45) JAK1JAK2HTR6SMN1; SMN2TYK2
SCHEMBL12384871 0.85 JAK1 (0.43) JAK1JAK2HTR6ALDH1A1SMN1; SMN2
SCHEMBL2278876 0.83 JAK1 (0.40) JAK1JAK2HTR6ALDH1A1SMN1; SMN2

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-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed