SCHEMBL3666741

SCHEMBL3666741

CCOCc1cccc(Nc2sc(-c3ccc(CC(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.54
KCNH2 Q12809 3/20 0.54
JAK3 P52333 3/20 0.54
IKBKB O14920 1/20 0.35

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
SCHEMBL3681273 0.92 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3667614 0.92 JAK2 (0.57) JAK2KCNH2JAK3IKBKB
SCHEMBL3671216 0.92 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3679058 0.92 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3674404 0.92 JAK2 (0.52) JAK2KCNH2JAK3
SCHEMBL3669772 0.91 JAK2 (0.67) JAK2KCNH2JAK3
SCHEMBL3677163 0.91 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3680859 0.91 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3674591 0.89 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669408 0.89 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 disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed