SCHEMBL4560682

SCHEMBL4560682

COc1ccc(-c2nc(Nc3cnn(CCO)c3)ncc2C)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR4 P22455 1/20 0.54
FGFR3 P22607 1/20 0.54
JAK2 O60674 11/20 0.50
JAK3 P52333 10/20 0.50
JAK1 P23458 9/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TYK2 P29597 2/20 0.46
STAT3 P40763 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
JUN P05412 1/20 0.44
MAPK10 P53779 1/20 0.44
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
FLT3 P36888 1/20 0.43
AXL P30530 2/20 0.43

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
SCHEMBL4561292 0.89 ALDH1A1 (0.46) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL4561894 0.86 JAK3 (0.46) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4561973 0.86 JAK2 (0.44) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL4562626 0.86 ALDH1A1 (0.45) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4561182 0.86 JAK1 (0.52) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4561529 0.85 ALDH1A1 (0.46) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4562639 0.85 JAK1 (0.53) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4562570 0.85 IGF1R (0.48) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4561201 0.85 KDM4E (0.43) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL4562265 0.84 KDM4E (0.43) JAK2JAK3JAK1ALDH1A1MAPK1

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