SCHEMBL3673952

SCHEMBL3673952

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N4CCC(CO)CC4)n3)s2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.49
KCNH2 Q12809 3/20 0.45
HTR2C P28335 3/20 0.40
JAK3 P52333 3/20 0.38

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
SCHEMBL3673644 0.88 JAK2 (0.51) JAK2KCNH2JAK3
SCHEMBL3671012 0.88 JAK2 (0.47) JAK2KCNH2JAK3
SCHEMBL3666374 0.86 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3508236 0.86 JAK2 (0.50) JAK2KCNH2HTR2CJAK3
SCHEMBL3666719 0.84 JAK2 (0.49) JAK2KCNH2JAK3
SCHEMBL3677381 0.84 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3670134 0.83 JAK2 (0.50) JAK2KCNH2JAK3
SCHEMBL3668340 0.81 JAK2 (0.45) JAK2KCNH2JAK3
SCHEMBL3674591 0.81 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669068 0.81 JAK2 (0.47) 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