SCHEMBL2277817

SCHEMBL2277817

CC1CCN(Cc2ccccc2)CC1n1c(S(=O)(=O)c2ccccc2)nc2cnc3[nH]ccc3c21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.64
JAK2 O60674 12/20 0.64
TYK2 P29597 11/20 0.64
JAK3 P52333 11/20 0.64

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
SCHEMBL2277582 0.94 JAK1 (0.58) JAK1JAK2TYK2JAK3
SCHEMBL2282181 0.88 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL2278570 0.85 JAK1 (0.63) JAK1JAK2TYK2JAK3
SCHEMBL2273768 0.81 JAK1 (0.56) JAK1JAK2TYK2JAK3
SCHEMBL10099447 0.79 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL12385145 0.79 JAK2 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL2274433 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
Hydrochloric Acid SCHEMBL2279584 0.78 JAK2 (0.74) JAK1JAK2TYK2JAK3
SCHEMBL2275480 0.78 JAK1 (0.50) JAK1JAK2TYK2JAK3
SCHEMBL2223939 0.78 JAK1 (0.54) 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