SCHEMBL3673734

SCHEMBL3673734

NC(=O)c1cc(-c2ccccc2F)sc1NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.63
IKBKB O14920 2/20 0.57
JAK3 P52333 1/20 0.57
MEN1 O00255 1/20 0.51
EIF2AK2 P19525 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CHEK1 O14757 2/20 0.51
KCNH2 Q12809 1/20 0.48

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
SCHEMBL7053472 0.90 IKBKB (0.66) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898693 0.88 JAK2 (0.61) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898697 0.86 JAK2 (0.59) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL13269939 0.85 JAK2 (0.62) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL13116577 0.82 JAK2 (0.51) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL3508176 0.79 IKBKB (0.62) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL6312507 0.78 NPC1 (0.49) JAK2IKBKBJAK3CHEK1
SCHEMBL5898673 0.78 JAK2 (0.64) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL3510299 0.78 JAK2 (1.00) JAK2JAK3KCNH2
SCHEMBL4082755 0.76 IKBKB (0.69) JAK2IKBKBJAK3MEN1EIF2AK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
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