SCHEMBL3669815

SCHEMBL3669815

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.59
KCNH2 Q12809 3/20 0.59
JAK3 P52333 3/20 0.59

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
SCHEMBL3512511 0.92 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3512514 0.92 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3511960 0.89 JAK2 (0.65) JAK2KCNH2JAK3
SCHEMBL3512978 0.89 JAK2 (0.63) JAK2KCNH2JAK3
SCHEMBL3509101 0.88 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3511405 0.87 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3510138 0.87 JAK2 (0.68) JAK2KCNH2JAK3
SCHEMBL3513077 0.87 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL13465040 0.87 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3510597 0.86 JAK2 (0.60) 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 5 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-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