SCHEMBL2224299

SCHEMBL2224299

O=S(=O)(c1ccccc1)c1nc2[nH]ccc2c2c1nc(CCl)n2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.50
JAK2 O60674 13/20 0.50
TYK2 P29597 12/20 0.46
JAK3 P52333 12/20 0.46
HTR6 P50406 2/20 0.42
HTR2A P28223 1/20 0.41
KMT2A Q03164 1/20 0.39

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
SCHEMBL2277749 0.92 JAK1 (0.49) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2278052 0.91 JAK2 (0.48) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2279738 0.89 JAK2 (0.62) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2271092 0.88 JAK1 (0.45) JAK1JAK2TYK2JAK3KMT2A
SCHEMBL2271050 0.88 JAK1 (0.52) JAK1JAK2
SCHEMBL2276637 0.87 JAK1 (0.49) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2274899 0.86 JAK1 (0.49) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2276566 0.86 JAK1 (0.47) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2274090 0.86 JAK1 (0.47) JAK1JAK2TYK2JAK3HTR6
SCHEMBL2277495 0.86 JAK1 (0.50) JAK1JAK2TYK2JAK3HTR6

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