SCHEMBL3674604

SCHEMBL3674604

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.51
KCNH2 Q12809 3/20 0.47
JAK3 P52333 3/20 0.44

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
SCHEMBL3666814 0.88 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3510670 0.85 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3674093 0.85 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3673283 0.83 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3671282 0.82 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3670778 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3511361 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3676861 0.81 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3680056 0.81 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3679852 0.81 JAK2 (0.51) 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