SCHEMBL3668199

SCHEMBL3668199

NC(=O)c1cc(-c2ccccc2F)sc1Nc1cccc(CCO)n1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.71
KCNH2 Q12809 3/20 0.69
JAK3 P52333 3/20 0.51

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
SCHEMBL3507801 0.87 JAK2 (0.73) JAK2KCNH2JAK3
SCHEMBL3677259 0.85 JAK2 (0.71) JAK2KCNH2JAK3
SCHEMBL3510299 0.83 JAK2 (1.00) JAK2KCNH2JAK3
SCHEMBL3513206 0.82 JAK2 (0.69) JAK2KCNH2JAK3
SCHEMBL3509269 0.82 JAK2 (0.75) JAK2KCNH2JAK3
SCHEMBL3508266 0.82 JAK2 (0.74) JAK2KCNH2JAK3
SCHEMBL3507205 0.82 JAK2 (1.00) JAK2KCNH2JAK3
SCHEMBL3509979 0.81 JAK2 (0.76) JAK2KCNH2JAK3
SCHEMBL3513383 0.80 JAK2 (0.74) JAK2KCNH2JAK3
SCHEMBL3672231 0.80 JAK2 (0.55) 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