SCHEMBL2279200

SCHEMBL2279200

CC(C)(C)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1C1CCCOC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.67
JAK2 O60674 16/20 0.67
TYK2 P29597 14/20 0.63
JAK3 P52333 14/20 0.63

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
SCHEMBL14605139 0.88 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL14644164 0.87 JAK1 (0.64) JAK1JAK2TYK2JAK3
SCHEMBL2291263 0.87 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL14605165 0.87 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL14644764 0.85 JAK1 (0.72) JAK1JAK2TYK2JAK3
SCHEMBL14644765 0.84 JAK1 (0.75) JAK1JAK2TYK2JAK3
SCHEMBL2296189 0.84 JAK1 (0.77) JAK1JAK2TYK2JAK3
SCHEMBL14644107 0.83 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL14605166 0.82 JAK1 (0.70) JAK1JAK2TYK2JAK3
SCHEMBL2291267 0.82 JAK1 (0.70) 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