SCHEMBL3677021

SCHEMBL3677021

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.75
KCNH2 Q12809 3/20 0.75
JAK3 P52333 2/20 0.62
LCK P06239 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CHEK1 O14757 2/20 0.37
SYK P43405 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
SCHEMBL3674712 0.92 JAK2 (0.62) JAK2KCNH2JAK3TNIKCHEK1
SCHEMBL3667740 0.91 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3671383 0.90 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3674452 0.89 JAK2 (0.59) JAK2KCNH2JAK3
SCHEMBL3670415 0.88 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3679261 0.88 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669045 0.87 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3678265 0.86 JAK2 (0.55) JAK2KCNH2JAK3TNIKCHEK1
SCHEMBL3674591 0.86 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3507205 0.86 JAK2 (1.00) JAK2KCNH2JAK3LCK

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