SCHEMBL4562555

SCHEMBL4562555

CCc1ccc(-c2nc(Nc3cnn(C)c3)ncc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.59
JAK1 P23458 7/20 0.59
JAK3 P52333 6/20 0.59
TYK2 P29597 5/20 0.59
STAT3 P40763 3/20 0.59
ABL1 P00519 1/20 0.52
KDR P35968 1/20 0.52
GSK3B P49841 1/20 0.52
AURKB Q96GD4 1/20 0.52
AXL P30530 4/20 0.47
FLT3 P36888 2/20 0.46
IGF1R P08069 3/20 0.46
CDK19 Q9BWU1 2/20 0.45
ALK Q9UM73 2/20 0.45

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
SCHEMBL4561135 0.88 JAK1 (0.60) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4562001 0.86 JAK2 (0.57) JAK2JAK1JAK3TYK2STAT3
SCHEMBL22545979 0.85 JAK1 (0.58) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561983 0.85 JAK2 (0.58) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4560821 0.85 AXL (0.59) JAK2JAK1JAK3TYK2STAT3
SCHEMBL5022297 0.85 JAK1 (0.61) JAK2JAK1JAK3TYK2STAT3
SCHEMBL29754252 0.85 JAK1 (0.58) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561905 0.85 JAK2 (0.64) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4560785 0.84 JAK2 (0.55) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4559669 0.84 JAK1 (0.59) 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 5 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 claimed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO claimed
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