SCHEMBL4561960

SCHEMBL4561960

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(C(=O)NC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.50
JAK1 P23458 3/20 0.50
JAK3 P52333 2/20 0.50
TYK2 P29597 2/20 0.50
STAT3 P40763 1/20 0.50
BTK Q06187 2/20 0.46
DDR2 Q16832 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL4562807 0.89 JAK2 (0.53) JAK2JAK1JAK3TYK2STAT3
SCHEMBL22097741 0.86 JAK2 (0.54) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561778 0.86 JAK2 (0.50) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4559030 0.86 JAK2 (0.54) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561175 0.85 JAK3 (0.53) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4562353 0.85 BRD4 (0.54) JAK2JAK1JAK3TYK2STAT3
SCHEMBL22097961 0.84 JAK2 (0.51) JAK2JAK1JAK3TYK2STAT3
SCHEMBL22115067 0.84 JAK1 (0.53) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4560217 0.84 JAK2 (0.52) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561996 0.84 JAK2 (0.52) JAK2JAK1JAK3TYK2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638018-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-09-18 EP disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed