SCHEMBL3672060

SCHEMBL3672060

CC(O)Cc1cccc(Nc2sc(-c3cc(Cl)ccc3Cl)cc2C(N)=O)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.58
KCNH2 Q12809 3/20 0.47
JAK3 P52333 3/20 0.44

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
SCHEMBL3508296 0.87 JAK2 (0.60) JAK2KCNH2JAK3
SCHEMBL3512348 0.86 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3508881 0.84 JAK2 (0.81) JAK2KCNH2JAK3
SCHEMBL3677259 0.83 JAK2 (0.71) JAK2KCNH2JAK3
SCHEMBL3509901 0.83 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3510848 0.82 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3510368 0.82 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3508086 0.81 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3507131 0.80 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3673945 0.79 JAK2 (0.58) 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 4 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
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