SCHEMBL5021648

SCHEMBL5021648

CCOc1ccc(-c2nc(Nc3cnn(CCN4CCOCC4)c3)ncc2C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.49
JAK3 P52333 9/20 0.48
JAK2 O60674 8/20 0.48
JAK1 P23458 6/20 0.48
TYK2 P29597 5/20 0.48
STAT3 P40763 4/20 0.48
IKBKE Q14164 3/20 0.48
TBK1 Q9UHD2 3/20 0.48
AXL P30530 3/20 0.46
MYLK4 Q86YV6 1/20 0.43
STK17A Q9UEE5 1/20 0.43
BTK Q06187 1/20 0.42

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
SCHEMBL4561735 0.89 JAK2 (0.44) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4560086 0.88 JAK2 (0.47) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561036 0.87 JAK3 (0.46) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4559900 0.87 JAK3 (0.45) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4561602 0.86 JAK3 (0.45) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4561814 0.85 LRRK2 (0.47) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4561798 0.85 JAK1 (0.52) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL29754155 0.85 JAK1 (0.52) IGF1RJAK3JAK2JAK1TYK2
SCHEMBL4561973 0.85 JAK2 (0.44) JAK3JAK2JAK1TYK2STAT3
SCHEMBL4561704 0.82 JAK2 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed