SCHEMBL2047490

SCHEMBL2047490

CNC(=O)Nc1ccc(C2CCNC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.74

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
SCHEMBL29537437 0.85 JAK3 (1.00) JAK3
SCHEMBL1992632 0.85 JAK3 (1.00) JAK3
SCHEMBL28051524 0.85 JAK3 (0.69) JAK3
SCHEMBL1993327 0.84 JAK3 (0.77) JAK3
Hydrochloric Acid SCHEMBL1991208 0.84 JAK3 (0.97) JAK3
Hydrochloric Acid SCHEMBL2022955 0.84 JAK3 (0.68) JAK3
SCHEMBL30520105 0.83 JAK3 (0.76) JAK3
SCHEMBL13505339 0.83 JAK3 (0.76) JAK3
Hydrochloric Acid SCHEMBL1995265 0.83 JAK3 (0.76) JAK3
SCHEMBL19085143 0.83 POLB (0.59) JAK3

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-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed