SCHEMBL4561602

SCHEMBL4561602

CCOc1ccc(-c2nc(Nc3cnn(CC)c3)ncc2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.45
JAK1 P23458 9/20 0.45
TYK2 P29597 5/20 0.45
EIF2AK4 Q9P2K8 2/20 0.44
LRRK2 Q5S007 1/20 0.44
JAK2 O60674 8/20 0.44
STAT3 P40763 2/20 0.44
IGF1R P08069 1/20 0.43
AXL P30530 2/20 0.42

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
SCHEMBL4560086 0.92 JAK2 (0.47) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4561036 0.92 JAK3 (0.46) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4561814 0.90 LRRK2 (0.47) JAK3JAK1TYK2LRRK2JAK2
SCHEMBL4561704 0.90 JAK2 (0.49) JAK3JAK1TYK2JAK2STAT3
SCHEMBL29754155 0.89 JAK1 (0.52) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4561798 0.89 JAK1 (0.52) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4561973 0.89 JAK2 (0.44) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4562783 0.89 JAK1 (0.46) JAK3JAK1TYK2LRRK2JAK2
SCHEMBL4562431 0.88 JAK3 (0.40) JAK3JAK1TYK2JAK2STAT3
SCHEMBL4561908 0.88 JAK1 (0.43) JAK3JAK1TYK2JAK2STAT3

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