SCHEMBL2272786

SCHEMBL2272786

O=C(Cc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCN(Cc2ccccc2)CC1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.45
TYK2 P29597 15/20 0.45
JAK3 P52333 15/20 0.45
JAK1 P23458 13/20 0.45
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL2278052 0.89 JAK2 (0.48) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2277749 0.86 JAK1 (0.49) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2224299 0.85 JAK1 (0.50) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2274090 0.85 JAK1 (0.47) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2276566 0.82 JAK1 (0.47) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2279234 0.82 JAK2 (0.65) JAK2TYK2JAK3JAK1
SCHEMBL2279738 0.81 JAK2 (0.62) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2277495 0.80 JAK1 (0.50) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2276637 0.80 JAK1 (0.49) JAK2TYK2JAK3JAK1HTR6
SCHEMBL2280027 0.80 JAK1 (0.49) JAK2TYK2JAK3JAK1HTR6

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