SCHEMBL4562334

SCHEMBL4562334

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(C(=O)NCC(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.51
JAK2 O60674 5/20 0.51
JAK1 P23458 4/20 0.50
TYK2 P29597 2/20 0.50
STAT3 P40763 2/20 0.50
FLT4 P35916 4/20 0.47
KDR P35968 2/20 0.47
AURKB Q96GD4 2/20 0.47
DDR2 Q16832 1/20 0.46
ABL1 P00519 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL4559030 0.89 JAK2 (0.54) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4562657 0.89 JAK2 (0.51) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4562304 0.88 JAK2 (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561996 0.87 JAK2 (0.52) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4560217 0.87 JAK2 (0.52) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561175 0.87 JAK3 (0.53) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4562347 0.86 JAK2 (0.51) JAK3JAK2JAK1TYK2STAT3
SCHEMBL22098049 0.86 JAK2 (0.68) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4560733 0.86 BRAF (0.52) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4562807 0.86 JAK2 (0.53) 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 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