SCHEMBL4540897

SCHEMBL4540897

CC[C@@H](C)Oc1ccc(-c2nc(Nc3cnn(C)c3)ncc2C)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.48
JAK1 P23458 6/20 0.48
JAK3 P52333 5/20 0.48
TYK2 P29597 4/20 0.48
STAT3 P40763 2/20 0.48
AXL P30530 5/20 0.46
ABL1 P00519 1/20 0.45
KDR P35968 1/20 0.45
GSK3B P49841 1/20 0.45
AURKB Q96GD4 1/20 0.45
FLT3 P36888 4/20 0.41
FLT4 P35916 3/20 0.40

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
SCHEMBL4561586 1.00 JAK2 (0.48) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4542943 1.00 JAK2 (0.48) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561896 0.92 JAK1 (0.48) JAK2JAK1JAK3TYK2STAT3
SCHEMBL29754155 0.89 JAK1 (0.52) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561798 0.89 JAK1 (0.52) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4558958 0.88 JAK1 (0.49) JAK2JAK1JAK3TYK2STAT3
SCHEMBL30891598 0.87 JAK1 (0.52) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561887 0.87 JAK1 (0.50) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4561182 0.86 JAK1 (0.52) JAK2JAK1JAK3TYK2STAT3
SCHEMBL4562566 0.86 JAK1 (0.48) JAK2JAK1JAK3TYK2STAT3

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