SCHEMBL3669708

SCHEMBL3669708

COCCc1ccc(Nc2sc(-c3ccc(CC(C)OC)cc3F)cc2C(N)=O)nc1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.49
KCNH2 Q12809 2/20 0.38
CHEK1 O14757 2/20 0.37
JAK3 P52333 1/20 0.36
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL3671380 0.86 JAK2 (0.50) JAK2KCNH2CHEK1JAK3
SCHEMBL3671735 0.84 JAK2 (0.51) JAK2KCNH2JAK3DGAT1SOAT1
SCHEMBL3669706 0.83 JAK2 (0.50) JAK2KCNH2CHEK1JAK3
SCHEMBL3671216 0.75 JAK2 (0.53) JAK2KCNH2CHEK1JAK3
SCHEMBL3680449 0.75 JAK2 (0.52) JAK2KCNH2CHEK1JAK3
SCHEMBL3679058 0.75 JAK2 (0.56) JAK2KCNH2CHEK1JAK3
SCHEMBL3669552 0.74 JAK2 (0.44) JAK2KCNH2JAK3
SCHEMBL3511833 0.74 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3677381 0.73 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3677577 0.73 JAK2 (0.50) 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