SCHEMBL4559670

SCHEMBL4559670

COc1ccccc1-c1nc(Nc2cnn(C)c2)ncc1C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.62
JAK2 O60674 7/20 0.62
TYK2 P29597 6/20 0.61
JAK3 P52333 5/20 0.61
CDK19 Q9BWU1 4/20 0.58
ALK Q9UM73 4/20 0.58
STAT3 P40763 2/20 0.52
IGF1R P08069 4/20 0.48
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.44
PLK1 P53350 1/20 0.44
FLT4 P35916 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
SCHEMBL30891585 0.84 JAK1 (0.65) JAK1JAK2TYK2JAK3CDK19
SCHEMBL30956572 0.83 JAK1 (0.58) JAK1JAK2TYK2JAK3ALK
SCHEMBL4560068 0.81 JAK1 (0.58) JAK1JAK2TYK2JAK3CDK19
SCHEMBL4561905 0.81 JAK2 (0.64) JAK1JAK2TYK2JAK3CDK19
SCHEMBL30956586 0.80 JAK1 (0.60) JAK1JAK2TYK2JAK3CDK19
SCHEMBL4561835 0.79 IGF1R (0.61) JAK1JAK2TYK2JAK3CDK19
SCHEMBL18410177 0.79 JAK1 (0.61) JAK1JAK2TYK2JAK3CDK19
SCHEMBL5022297 0.79 JAK1 (0.61) JAK1JAK2TYK2JAK3CDK19
SCHEMBL4561923 0.78 JAK1 (0.53) JAK1JAK2TYK2JAK3CDK19
SCHEMBL4561655 0.78 JAK1 (0.52) JAK1JAK2TYK2JAK3CDK19

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