SCHEMBL4561908

SCHEMBL4561908

CCNC(=O)Cn1cc(Nc2ncc(C)c(-c3ccc(OCC)c(F)c3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.43
JAK2 O60674 12/20 0.43
TYK2 P29597 9/20 0.42
JAK3 P52333 9/20 0.41
FLT3 P36888 3/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL4559080 0.93 JAK1 (0.41) JAK1JAK2TYK2JAK3FLT3
SCHEMBL4561201 0.93 KDM4E (0.43) JAK1JAK2TYK2JAK3FLT3
SCHEMBL4562635 0.93 JAK2 (0.42) JAK1JAK2TYK2JAK3FLT3
SCHEMBL4562156 0.91 JAK1 (0.42) JAK1JAK2TYK2JAK3FLT3
SCHEMBL4561601 0.89 JAK3 (0.42) JAK1JAK2TYK2JAK3FLT3
SCHEMBL27935904 0.88 JAK2 (0.43) JAK1JAK2TYK2JAK3FLT3
SCHEMBL4561602 0.88 JAK3 (0.45) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4560651 0.87 AXL (0.43) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4560635 0.86 AXL (0.44) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4560086 0.86 JAK2 (0.47) JAK1JAK2TYK2JAK3STAT3

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 4 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