SCHEMBL3676369

SCHEMBL3676369

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(CO)c(CN4CCOCC4)n3)s2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.57
KCNH2 Q12809 3/20 0.57
JAK3 P52333 2/20 0.47
MAOB P27338 1/20 0.37
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MAPK1 P28482 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL3509646 0.86 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3671676 0.82 JAK2 (0.52) JAK2KCNH2JAK3CHEK1
SCHEMBL3508567 0.79 JAK2 (0.62) JAK2KCNH2JAK3CHEK1
SCHEMBL3677851 0.79 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3671513 0.79 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3671965 0.78 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3674555 0.78 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3509564 0.78 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3667986 0.78 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3666667 0.76 JAK2 (0.74) JAK2KCNH2JAK3CHEK1

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