SCHEMBL4562287

SCHEMBL4562287

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.55
JAK2 O60674 7/20 0.55
JAK1 P23458 6/20 0.55
JAK3 P52333 3/20 0.55
STAT3 P40763 2/20 0.55
LRRK2 Q5S007 1/20 0.53
IGF1R P08069 5/20 0.49
DDR2 Q16832 2/20 0.49
ABL1 P00519 1/20 0.48
KDR P35968 1/20 0.48
GSK3B P49841 1/20 0.48
AURKB Q96GD4 1/20 0.48
AXL P30530 2/20 0.46

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
SCHEMBL4560821 0.87 AXL (0.59) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4561135 0.87 JAK1 (0.60) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4559669 0.85 JAK1 (0.59) TYK2JAK2JAK1JAK3STAT3
SCHEMBL29754252 0.84 JAK1 (0.58) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4561983 0.84 JAK2 (0.58) TYK2JAK2JAK1JAK3STAT3
SCHEMBL22545979 0.84 JAK1 (0.58) TYK2JAK2JAK1JAK3STAT3
SCHEMBL5022297 0.84 JAK1 (0.61) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4561905 0.84 JAK2 (0.64) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4561793 0.82 JAK1 (0.56) TYK2JAK2JAK1JAK3STAT3
SCHEMBL4561835 0.82 IGF1R (0.61) TYK2JAK2JAK1JAK3STAT3

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