SCHEMBL7053472

SCHEMBL7053472

NC(=O)Nc1sc(-c2ccccc2F)cc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.66
JAK2 O60674 5/20 0.66
JAK3 P52333 1/20 0.66
MEN1 O00255 1/20 0.63
EIF2AK2 P19525 1/20 0.63
KMT2A Q03164 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
CHEK1 O14757 8/20 0.60
MAP4K4 O95819 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3673734 0.90 JAK2 (0.63) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898693 0.89 JAK2 (0.61) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL5898697 0.87 JAK2 (0.59) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL4082755 0.85 IKBKB (0.69) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL10051836 0.84 IKBKB (0.68) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL1683039 0.81 IKBKB (0.63) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL1929619 0.81 IKBKB (0.63) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL1681706 0.81 IKBKB (0.67) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL13116577 0.81 JAK2 (0.51) IKBKBJAK2JAK3MEN1EIF2AK2
SCHEMBL7055208 0.81 IKBKB (0.75) IKBKBJAK2JAK3MEN1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003029241-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed