SCHEMBL2274434

SCHEMBL2274434

CC(=O)OCc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCC(NC(=O)OCC2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.43
JAK1 P23458 20/20 0.43
TYK2 P29597 19/20 0.43
JAK3 P52333 19/20 0.43

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
SCHEMBL2278742 0.87 JAK1 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL2275951 0.86 JAK1 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL2279559 0.85 JAK2 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL2269216 0.84 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2278249 0.82 JAK1 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL2272526 0.80 HTR6 (0.46) JAK2JAK1TYK2JAK3
SCHEMBL2276178 0.80 JAK1 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL2283253 0.79 JAK1 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL21490539 0.79 TYK2 (0.70) JAK2JAK1TYK2JAK3
SCHEMBL21490536 0.79 TYK2 (0.70) JAK2JAK1TYK2JAK3

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