SCHEMBL99850

SCHEMBL99850

N#CC(Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.47
JAK1 P23458 16/20 0.47
JAK3 P52333 11/20 0.47
TYK2 P29597 4/20 0.45
RET P07949 3/20 0.45
ROCK1 Q13464 3/20 0.45
DAPK3 O43293 2/20 0.45
PAK4 O96013 2/20 0.45
ABL1 P00519 2/20 0.45
LTK P29376 2/20 0.45
CSNK1A1 P48729 2/20 0.45
CLK2 P49760 2/20 0.45
TNK2 Q07912 2/20 0.45
DYRK1A Q13627 2/20 0.45
IKBKE Q14164 2/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
LRRK2 Q5S007 2/20 0.45
TAOK1 Q7L7X3 2/20 0.45
CAMK1D Q8IU85 2/20 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
SCHEMBL2145137 0.87 JAK2 (0.49) JAK2JAK1JAK3TYK2RET
SCHEMBL102249 0.84 JAK2 (0.51) JAK2JAK1JAK3TYK2RET
SCHEMBL15970056 0.83 JAK1 (0.48) JAK2JAK1JAK3TYK2RET
SCHEMBL6122878 0.83 JAK3 (0.48) JAK2JAK1JAK3TYK2RET
SCHEMBL103192 0.80 JAK2 (0.49) JAK2JAK1JAK3TYK2RET
SCHEMBL29541213 0.80 JAK2 (0.49) JAK2JAK1JAK3TYK2RET
Trifluoroacetic Acid SCHEMBL4093928 0.79 JAK2 (0.47) JAK2JAK1JAK3TYK2RET
SCHEMBL101418 0.79 JAK2 (0.51) JAK2JAK1JAK3TYK2RET
SCHEMBL101075 0.78 EGFR (0.48) JAK2JAK1JAK3TYK2RET
SCHEMBL29540611 0.78 EGFR (0.48) JAK2JAK1JAK3TYK2RET

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
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed