Sugi Predict

Sugi Predict / Compounds / SCHEMBL3673550

SCHEMBL3673550

SCHEMBL3673550

CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(CN(CC(=O)NC4CCCC4)S(C)(=O)=O)n3)s2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.45
▸ KCNH2 Q12809 3/20 0.45
▸ JAK3 P52333 2/20 0.45
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL3674683 0.91 JAK2 (0.48) JAK2KCNH2JAK3CHEK1MEN1
SCHEMBL3668784 0.89 JAK2 (0.46) JAK2KCNH2JAK3CHEK1MEN1
SCHEMBL3509713 0.89 JAK2 (0.59) JAK2KCNH2JAK3GAANPSR1
SCHEMBL3672735 0.86 JAK2 (0.48) JAK2KCNH2JAK3CHEK1
SCHEMBL3673886 0.83 JAK2 (0.55) JAK2KCNH2JAK3
SCHEMBL3673945 0.82 JAK2 (0.58) JAK2KCNH2JAK3
SCHEMBL3673508 0.81 JAK2 (0.53) JAK2KCNH2JAK3
SCHEMBL3666491 0.81 JAK2 (0.56) JAK2KCNH2JAK3
SCHEMBL3670790 0.81 JAK2 (0.54) JAK2KCNH2JAK3
SCHEMBL3675347 0.80 JAK2 (0.53) 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