SCHEMBL3669715

SCHEMBL3669715

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNC4CCN(C)C4=O)n3)s2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.48
KCNH2 Q12809 3/20 0.48
JAK3 P52333 3/20 0.40
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL3669108 0.87 JAK2 (0.48) JAK2KCNH2JAK3ALOX5APFEN1
SCHEMBL3511072 0.86 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3675123 0.84 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3671426 0.83 JAK2 (0.48) JAK2KCNH2JAK3
SCHEMBL3672909 0.82 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3803467 0.82 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3670431 0.81 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3671965 0.80 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3666814 0.80 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3669458 0.80 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