SCHEMBL3669494

SCHEMBL3669494

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cc(F)ccn3)s2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.60
JAK3 P52333 2/20 0.44
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.36
IKBKB O14920 1/20 0.36
EIF2AK2 P19525 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL3672482 0.89 JAK2 (0.59) JAK2JAK3KCNH2
SCHEMBL3676203 0.87 JAK2 (0.46) JAK2JAK3KCNH2
SCHEMBL3667932 0.86 JAK2 (0.45) JAK2JAK3KCNH2
SCHEMBL3672820 0.85 JAK2 (0.60) JAK2JAK3KCNH2MEN1IKBKB
SCHEMBL3671860 0.84 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL3670601 0.84 JAK2 (0.43) JAK2JAK3KCNH2
SCHEMBL1579870 0.83 JAK2 (0.41) JAK2JAK3KCNH2MEN1IKBKB
SCHEMBL3671054 0.83 JAK2 (0.53) JAK2JAK3KCNH2
SCHEMBL3677158 0.83 JAK2 (0.44) JAK2JAK3KCNH2IKBKB
SCHEMBL3675297 0.83 JAK2 (0.44) 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 disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed