SCHEMBL3672428

SCHEMBL3672428

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC(=O)NCC4CCOC4)n3)s2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.46
KCNH2 Q12809 6/20 0.46
JAK3 P52333 2/20 0.44
GSK3B P49841 3/20 0.33
MAP3K14 Q99558 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3669385 0.91 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3678791 0.89 JAK2 (0.46) JAK2KCNH2JAK3GSK3BMAP3K14
SCHEMBL3511906 0.88 JAK2 (0.56) JAK2KCNH2JAK3GSK3BMAP3K14
SCHEMBL3669045 0.85 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL13116982 0.84 JAK2 (0.57) JAK2KCNH2JAK3MAP3K14
SCHEMBL3666741 0.83 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3667614 0.81 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3671216 0.81 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3681273 0.81 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3679058 0.81 JAK2 (0.56) 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