SCHEMBL3668299

SCHEMBL3668299

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.56
KCNH2 Q12809 3/20 0.56
JAK3 P52333 3/20 0.56

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
SCHEMBL13465106 0.92 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3508347 0.91 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL13116785 0.91 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3508175 0.90 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3509068 0.89 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3508244 0.89 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3511055 0.89 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3512470 0.88 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3510725 0.88 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3507654 0.87 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US claimed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP claimed
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
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
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