SCHEMBL2485227

SCHEMBL2485227

CC(C)(C)[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3c[nH]c(CC4CC4)n3)nc12)C(=O)N1CCC(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.43
JAK1 P23458 17/20 0.43
JAK2 O60674 16/20 0.43
TYK2 P29597 2/20 0.43
CNR2 P34972 1/20 0.31

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
SCHEMBL2378169 0.86 JAK3 (0.38) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2379421 0.86 JAK3 (0.40) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2378332 0.84 JAK3 (0.41) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2378268 0.84 JAK1 (0.40) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2378414 0.82 JAK3 (0.39) JAK3JAK1JAK2TYK2CNR2
SCHEMBL14751953 0.79 JAK2 (0.53) JAK3JAK1JAK2TYK2
SCHEMBL2377922 0.77 JAK1 (0.39) JAK3JAK1JAK2TYK2
SCHEMBL2379093 0.77 JAK2 (0.45) JAK3JAK1JAK2TYK2CNR2
SCHEMBL2379097 0.77 JAK2 (0.45) JAK3JAK1JAK2TYK2CNR2
SCHEMBL14751009 0.76 CNR2 (0.34) JAK3JAK1JAK2TYK2CNR2

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-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed