SCHEMBL3680449

SCHEMBL3680449

COCCNC(=O)c1cccc(Nc2sc(-c3ccc(CC(C)O)cc3F)cc2C(N)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.52
KCNH2 Q12809 2/20 0.42
CHEK1 O14757 2/20 0.42
JAK3 P52333 2/20 0.42
ALOX15 P16050 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL3677381 0.87 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3671216 0.85 JAK2 (0.53) JAK2KCNH2CHEK1JAK3
SCHEMBL3670379 0.85 JAK2 (0.49) JAK2KCNH2CHEK1JAK3
SCHEMBL3679058 0.85 JAK2 (0.56) JAK2KCNH2CHEK1JAK3
SCHEMBL3509701 0.85 JAK2 (0.55) JAK2KCNH2CHEK1JAK3ALOX15
SCHEMBL3674591 0.82 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3669887 0.82 JAK2 (0.54) JAK2KCNH2CHEK1JAK3
SCHEMBL3666817 0.82 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3675459 0.82 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3673644 0.81 JAK2 (0.51) 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