SCHEMBL2277491

SCHEMBL2277491

CC(C)(O)c1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
HTR6 P50406 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
Bromomethane SCHEMBL2275707 0.98 JAK1 (0.44) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2275709 0.96 JAK2 (0.43) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2276629 0.91 JAK1 (0.45) JAK2JAK1HTR6POLBHTR2A
SCHEMBL2279733 0.88 JAK1 (0.60) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2277746 0.87 JAK1 (0.45) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2280024 0.86 JAK1 (0.46) JAK2JAK1HTR6SMN1; SMN2TYK2
SCHEMBL2224293 0.86 JAK1 (0.46) JAK2JAK1HTR6POLBALDH1A1
SCHEMBL2278047 0.85 JAK2 (0.44) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2276558 0.85 JAK2 (0.44) JAK2JAK1HTR6SMN1; SMN2POLB
SCHEMBL2276561 0.85 JAK2 (0.44) JAK2JAK1HTR6SMN1; SMN2POLB

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