SCHEMBL4559080

SCHEMBL4559080

CCCOc1ccc(-c2nc(Nc3cnn(CC(=O)NCC)c3)ncc2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 11/20 0.41
JAK3 P52333 9/20 0.41
TYK2 P29597 8/20 0.41
JAK2 O60674 12/20 0.40
FLT3 P36888 4/20 0.39
AXL P30530 2/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL4561908 0.93 JAK1 (0.43) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4561201 0.92 KDM4E (0.43) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4562156 0.89 JAK1 (0.42) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4561601 0.87 JAK3 (0.42) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4562635 0.86 JAK2 (0.42) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4561248 0.85 JAK3 (0.44) JAK1JAK3TYK2JAK2AXL
SCHEMBL27935904 0.85 JAK2 (0.43) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4561887 0.83 JAK1 (0.50) JAK1JAK3TYK2JAK2AXL
SCHEMBL4562626 0.83 ALDH1A1 (0.45) JAK1JAK3TYK2JAK2FLT3
SCHEMBL4561292 0.82 ALDH1A1 (0.46) JAK1JAK3TYK2JAK2STAT3

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 6 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
CN-103298794-A Pyridine compounds and aza analogues thereof as TYK2 inhibitors CELLZOME LTD 2013-09-11 CN 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
CN-103298794-A Pyridine compounds and aza analogues thereof as TYK2 inhibitors CELLZOME LTD 2013-09-11 CN disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed