SCHEMBL3667740

SCHEMBL3667740

CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(O)N4CCOCC4)n3)s2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.61
KCNH2 Q12809 3/20 0.61
JAK3 P52333 3/20 0.50
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3671383 0.94 JAK2 (0.62) JAK2KCNH2JAK3KDM4EMEN1
SCHEMBL3677021 0.91 JAK2 (0.75) JAK2KCNH2JAK3
SCHEMBL3668316 0.89 JAK2 (0.77) JAK2KCNH2JAK3KDM4EMEN1
SCHEMBL3669045 0.86 JAK2 (0.56) JAK2KCNH2JAK3MAPT
SCHEMBL3674591 0.85 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3675459 0.85 JAK2 (0.57) JAK2KCNH2JAK3
SCHEMBL3674712 0.84 JAK2 (0.62) JAK2KCNH2JAK3
SCHEMBL3679058 0.83 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3675737 0.83 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3669971 0.83 JAK2 (0.55) 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