SCHEMBL3674090

SCHEMBL3674090

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNCC4CCC(=O)N4C)n3)s2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.46
KCNH2 Q12809 3/20 0.46
JAK3 P52333 3/20 0.39
CD274 Q9NZQ7 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL3512687 0.86 JAK2 (0.51) JAK2KCNH2JAK3CD274PDCD1LG2
SCHEMBL3669971 0.85 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3669887 0.84 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3674995 0.83 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3675657 0.82 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3674591 0.82 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3670075 0.82 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3669723 0.81 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3674552 0.81 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3675459 0.81 JAK2 (0.57) 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