SCHEMBL4561835

SCHEMBL4561835

COc1ccc(-c2nc(Nc3cnn(C)c3)ncc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.61
JAK1 P23458 6/20 0.56
JAK2 O60674 6/20 0.56
TYK2 P29597 6/20 0.56
JAK3 P52333 4/20 0.56
STAT3 P40763 2/20 0.56
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
TTK P33981 1/20 0.54
KDR P35968 2/20 0.49
ABL1 P00519 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
CDK19 Q9BWU1 3/20 0.47
ALK Q9UM73 3/20 0.47
TYRO3 Q06418 1/20 0.46
CDK1 P06493 1/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4562001 0.88 JAK2 (0.57) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4561135 0.88 JAK1 (0.60) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4561936 0.86 JAK2 (0.55) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4560821 0.85 AXL (0.59) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4561983 0.85 JAK2 (0.58) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL22545979 0.85 JAK1 (0.58) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL29754252 0.85 JAK1 (0.58) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL5022297 0.85 JAK1 (0.61) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4560068 0.85 JAK1 (0.58) IGF1RJAK1JAK2TYK2JAK3
SCHEMBL4561905 0.85 JAK2 (0.64) IGF1RJAK1JAK2TYK2JAK3

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