SCHEMBL4562304

SCHEMBL4562304

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
JAK3 P52333 8/20 0.49
JAK1 P23458 7/20 0.49
TYK2 P29597 4/20 0.49
STAT3 P40763 2/20 0.49
FLT4 P35916 4/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
DDR2 Q16832 1/20 0.44
ABL1 P00519 1/20 0.44
GSK3B P49841 1/20 0.44
FLT3 P36888 1/20 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
SCHEMBL4562444 0.89 JAK2 (0.52) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4562334 0.88 JAK3 (0.51) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4540546 0.88 JAK2 (0.50) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561794 0.88 JAK2 (0.50) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4559534 0.86 JAK2 (0.52) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561174 0.86 JAK2 (0.48) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561964 0.85 JAK2 (0.55) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4543457 0.83 JAK2 (0.50) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4562164 0.82 JAK3 (0.48) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561175 0.82 JAK3 (0.53) 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 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