SCHEMBL4561973

SCHEMBL4561973

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.44
JAK3 P52333 8/20 0.44
JAK1 P23458 7/20 0.44
TYK2 P29597 2/20 0.44
STAT3 P40763 2/20 0.44
FLT3 P36888 5/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
AXL P30530 4/20 0.41

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 0.91 JAK2 (0.47) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561036 0.90 JAK3 (0.46) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561602 0.89 JAK3 (0.45) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561814 0.89 LRRK2 (0.47) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4560682 0.86 FGFR1 (0.54) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4562431 0.86 JAK3 (0.40) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561956 0.86 JAK3 (0.40) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561955 0.86 JAK3 (0.40) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561798 0.86 JAK1 (0.52) JAK2JAK3JAK1TYK2STAT3
SCHEMBL29754155 0.86 JAK1 (0.52) JAK2JAK3JAK1TYK2STAT3

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 3 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
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed