SCHEMBL3668858

SCHEMBL3668858

CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)cs2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.31

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
SCHEMBL1246906 0.76 JAK2 (0.48) JAK2JAK3KCNH2
SCHEMBL3668859 0.74 PRSS1 (0.32)
SCHEMBL1430800 0.72 JAK2 (0.47) JAK2JAK3KCNH2
SCHEMBL30434370 0.71 DGAT1 (0.36) JAK2JAK3KCNH2
SCHEMBL1581282 0.66 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL30125238 0.66 IKBKB (0.51) JAK2PIM1PIM3
SCHEMBL1246898 0.66 PIM1 (0.39) JAK2JAK3KCNH2PIM1PIM3
SCHEMBL1893552 0.66 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL30097121 0.65 PIM1 (0.47) JAK2JAK3KCNH2PIM1PIM3
SCHEMBL15608628 0.65 PIM1 (0.45) PIM1PIM3

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 6 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-2299816-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2013-11-13 EP disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2009155156-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-12-23 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed