SCHEMBL3675449

SCHEMBL3675449

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCCN4CCN(C)CC4)n3)s2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.51
KCNH2 Q12809 3/20 0.51
JAK3 P52333 3/20 0.48
CHEK1 O14757 2/20 0.37
PRKD3 O94806 1/20 0.35
PIM1 P11309 1/20 0.35
SRC P12931 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3A P49840 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
STK17A Q9UEE5 1/20 0.35

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
SCHEMBL3670736 0.90 JAK2 (0.47) JAK2KCNH2JAK3CHEK1
SCHEMBL3674093 0.87 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3676861 0.87 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3679852 0.87 JAK2 (0.51) JAK2KCNH2JAK3CHEK1
SCHEMBL3508624 0.86 JAK2 (0.62) JAK2KCNH2JAK3CHEK1PRKD3
SCHEMBL3673283 0.85 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3511361 0.84 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3674555 0.84 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3678395 0.84 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3671282 0.83 JAK2 (0.50) JAK2KCNH2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP claimed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO claimed