SCHEMBL3672231

SCHEMBL3672231

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CCO)n3)s2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.55
KCNH2 Q12809 3/20 0.55
JAK3 P52333 3/20 0.55

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
SCHEMBL3673945 0.93 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669584 0.91 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3674969 0.89 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3673886 0.89 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3671054 0.88 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3667995 0.88 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3666491 0.88 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3669536 0.88 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3670790 0.88 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3675809 0.88 JAK2 (0.64) 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 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