SCHEMBL3669133

SCHEMBL3669133

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(COCC4CCCOC4)n3)s2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.48
KCNH2 Q12809 3/20 0.48
JAK3 P52333 3/20 0.46
CHEK1 O14757 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL3678791 0.87 JAK2 (0.46) JAK2KCNH2JAK3
SCHEMBL3512472 0.87 JAK2 (0.59) JAK2KCNH2JAK3CHEK1FFAR4
SCHEMBL3674555 0.85 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3674093 0.85 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3669385 0.84 JAK2 (0.49) JAK2KCNH2JAK3CHEK1IRAK4
SCHEMBL3510707 0.83 JAK2 (0.60) JAK2KCNH2JAK3CHEK1
SCHEMBL3511361 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3671965 0.82 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3676861 0.81 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3679852 0.81 JAK2 (0.51) 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