SCHEMBL4559900

SCHEMBL4559900

CCOc1ccc(-c2nc(Nc3cnn(CC(=O)N4CCOCC4)c3)ncc2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.45
JAK2 O60674 9/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 2/20 0.42
STAT3 P40763 1/20 0.42
PTK2 Q05397 1/20 0.41
GRIN2B Q13224 2/20 0.41
IGF1R P08069 1/20 0.40
LRRK2 Q5S007 2/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
BTK Q06187 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
SCHEMBL4561248 0.94 JAK3 (0.44) JAK3JAK2HDAC1HDAC6JAK1
SCHEMBL4562761 0.93 JAK3 (0.44) JAK3JAK2HDAC1HDAC6JAK1
SCHEMBL4561206 0.93 JAK2 (0.45) JAK3JAK2HDAC1HDAC6JAK1
SCHEMBL4560651 0.93 AXL (0.43) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561735 0.93 JAK2 (0.44) JAK3JAK2HDAC1HDAC6JAK1
SCHEMBL4560635 0.92 AXL (0.44) JAK3JAK2JAK1TYK2STAT3
SCHEMBL5021648 0.87 IGF1R (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL5021994 0.86 KDM1A (0.45) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4560124 0.85 AXL (0.45) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561908 0.85 JAK1 (0.43) JAK3JAK2JAK1TYK2STAT3

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 4 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