SCHEMBL2282181

SCHEMBL2282181

O=S(=O)(c1ccccc1)c1nc2cnc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.64
JAK2 O60674 13/20 0.64
TYK2 P29597 11/20 0.62
JAK3 P52333 11/20 0.62
HTR6 P50406 1/20 0.45

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
SCHEMBL2278570 0.95 JAK1 (0.63) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2277582 0.88 JAK1 (0.58) JAK1JAK2TYK2JAK3
SCHEMBL2277817 0.88 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL2223939 0.86 JAK1 (0.54) JAK1JAK2TYK2JAK3
SCHEMBL2275480 0.86 JAK1 (0.50) JAK1JAK2TYK2JAK3
SCHEMBL2273768 0.85 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL2279030 0.82 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2223856 0.82 JAK1 (0.50) JAK1JAK2TYK2JAK3
SCHEMBL2223737 0.82 JAK1 (0.62) JAK1JAK2TYK2JAK3
SCHEMBL2223333 0.82 JAK1 (0.62) JAK1JAK2TYK2JAK3

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