SCHEMBL3671027

SCHEMBL3671027

COc1cccc(Nc2sc(-c3c(F)cc(CC(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.52
JAK3 P52333 4/20 0.52
KCNH2 Q12809 3/20 0.52
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL3669874 0.90 JAK2 (0.49) JAK2JAK3KCNH2
SCHEMBL3671054 0.89 JAK2 (0.53) JAK2JAK3KCNH2
SCHEMBL3675809 0.88 JAK2 (0.64) JAK2JAK3KCNH2
SCHEMBL3673945 0.88 JAK2 (0.58) JAK2JAK3KCNH2
SCHEMBL3669584 0.86 JAK2 (0.55) JAK2JAK3KCNH2
SCHEMBL3672231 0.85 JAK2 (0.55) JAK2JAK3KCNH2
SCHEMBL3670748 0.85 JAK2 (0.51) JAK2JAK3KCNH2
SCHEMBL3672834 0.85 JAK2 (0.51) JAK2JAK3KCNH2
SCHEMBL3669518 0.85 JAK2 (0.49) JAK2JAK3KCNH2
SCHEMBL3673886 0.84 JAK2 (0.55) JAK2JAK3KCNH2

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 2 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