SCHEMBL3671513

SCHEMBL3671513

CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4=O)n3)s2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.60
KCNH2 Q12809 3/20 0.60
JAK3 P52333 3/20 0.49
GRM2 Q14416 1/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NTRK1 P04629 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
SCHEMBL3513591 0.86 JAK2 (0.64) JAK2KCNH2JAK3GRM2CYP11B1
SCHEMBL3671965 0.86 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3672909 0.84 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3674555 0.83 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3667986 0.82 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3670585 0.82 JAK2 (0.55) JAK2KCNH2JAK3GRM2CYP11B1
SCHEMBL3666814 0.82 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3803467 0.81 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3512367 0.80 JAK2 (0.63) JAK2KCNH2JAK3GRM2CYP11B1
SCHEMBL3674093 0.80 JAK2 (0.54) 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