SCHEMBL12148293

SCHEMBL12148293

CCCC[C@H](NC(=O)c1c[nH]c2ncc(C(C)C)nc12)C(C)(C)O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.49
JAK2 O60674 14/20 0.49
JAK1 P23458 14/20 0.49
SYK P43405 1/20 0.40

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
SCHEMBL1370566 0.83 JAK1 (0.70) JAK3JAK2JAK1
SCHEMBL650819 0.77 JAK3 (0.47) JAK3JAK2JAK1SYK
SCHEMBL1369994 0.72 JAK1 (0.76) JAK3JAK2JAK1
SCHEMBL12148031 0.71 JAK3 (0.51) JAK3JAK2JAK1SYK
SCHEMBL16797942 0.71 JAK2 (0.45) JAK3JAK2JAK1SYK
SCHEMBL18720827 0.70 JAK3 (0.42) JAK3JAK2JAK1SYK
SCHEMBL1368223 0.67 JAK3 (0.65) JAK3JAK2JAK1SYK
SCHEMBL18720830 0.67 JAK3 (0.42) JAK3JAK2JAK1SYK
SCHEMBL1368178 0.66 JAK1 (1.00) JAK3JAK2JAK1
SCHEMBL1370779 0.66 JAK1 (1.00) JAK3JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed