SCHEMBL3674712

SCHEMBL3674712

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCN(C)CC4)n3)s2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.62
KCNH2 Q12809 3/20 0.62
JAK3 P52333 2/20 0.51
CHEK1 O14757 2/20 0.47
IKBKE Q14164 2/20 0.40
TBK1 Q9UHD2 2/20 0.40
TNIK Q9UKE5 2/20 0.39

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
SCHEMBL3677021 0.92 JAK2 (0.75) JAK2KCNH2JAK3CHEK1TNIK
SCHEMBL3670415 0.88 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3678265 0.87 JAK2 (0.55) JAK2KCNH2JAK3CHEK1TNIK
SCHEMBL3674591 0.87 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3674552 0.86 JAK2 (0.54) JAK2KCNH2JAK3CHEK1
SCHEMBL3671382 0.86 JAK2 (0.55) JAK2KCNH2JAK3CHEK1TNIK
SCHEMBL3675459 0.86 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3674452 0.85 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3513158 0.85 JAK2 (0.67) JAK2KCNH2JAK3CHEK1IKBKE
SCHEMBL3675737 0.84 JAK2 (0.56) 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