SCHEMBL3676443

SCHEMBL3676443

COC1CN(CCc2cccc(Nc3sc(-c4ccc(CC(C)O)cc4F)cc3C(N)=O)n2)CCO1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.52
KCNH2 Q12809 3/20 0.52
JAK3 P52333 2/20 0.45
GRM2 Q14416 3/20 0.34
AVPR1B P47901 2/20 0.33
CHEK1 O14757 1/20 0.32

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
SCHEMBL3674452 0.84 JAK2 (0.59) JAK2KCNH2JAK3GRM2
SCHEMBL3677021 0.83 JAK2 (0.75) JAK2KCNH2JAK3CHEK1
SCHEMBL3679261 0.83 JAK2 (0.58) JAK2KCNH2JAK3GRM2
SCHEMBL3674712 0.81 JAK2 (0.62) JAK2KCNH2JAK3CHEK1
SCHEMBL3670415 0.81 JAK2 (0.58) JAK2KCNH2JAK3GRM2
SCHEMBL3679058 0.81 JAK2 (0.56) JAK2KCNH2JAK3CHEK1
SCHEMBL3667740 0.80 JAK2 (0.61) JAK2KCNH2JAK3
SCHEMBL3674591 0.80 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3671383 0.79 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3675459 0.79 JAK2 (0.57) 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 disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed