SCHEMBL4561894

SCHEMBL4561894

COc1ccc(-c2nc(Nc3cnn(CC(N)=O)c3)ncc2C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.46
JAK2 O60674 11/20 0.46
JAK1 P23458 10/20 0.46
TYK2 P29597 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 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
SCHEMBL4561292 0.92 ALDH1A1 (0.46) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4562626 0.91 ALDH1A1 (0.45) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4562639 0.90 JAK1 (0.53) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4562570 0.90 IGF1R (0.48) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4561201 0.90 KDM4E (0.43) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4562265 0.89 KDM4E (0.43) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4559533 0.88 GRIN2B (0.43) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL5021994 0.88 KDM1A (0.45) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4560124 0.87 AXL (0.45) JAK3JAK2JAK1TYK2KDM4E
SCHEMBL4560682 0.86 FGFR1 (0.54) JAK3JAK2JAK1TYK2KDM4E

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