SCHEMBL3669360

SCHEMBL3669360

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)cn1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.71
KCNH2 Q12809 2/20 0.71
JAK3 P52333 2/20 0.71
SYK P43405 1/20 0.42
CHEK1 O14757 2/20 0.41
LCK P06239 1/20 0.39

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
SCHEMBL3513949 0.90 JAK2 (0.74) JAK2KCNH2JAK3CHEK1
SCHEMBL3672095 0.89 JAK2 (0.56) JAK2KCNH2JAK3SYKCHEK1
SCHEMBL3510515 0.88 JAK2 (0.76) JAK2KCNH2JAK3CHEK1
SCHEMBL3512150 0.86 JAK2 (0.73) JAK2KCNH2JAK3CHEK1
SCHEMBL3509770 0.86 JAK2 (0.73) JAK2KCNH2JAK3SYKCHEK1
SCHEMBL3510370 0.85 JAK2 (0.82) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3666667 0.85 JAK2 (0.74) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3512642 0.84 JAK2 (0.79) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3512449 0.84 JAK2 (0.89) JAK2KCNH2JAK3CHEK1LCK
SCHEMBL3512066 0.84 JAK2 (0.75) JAK2KCNH2JAK3CHEK1LCK

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