SCHEMBL7053485

SCHEMBL7053485

NC(=O)Nc1sc(-c2cccc(C(F)(F)F)c2)cc1C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.73
IKBKB O14920 3/20 0.73
JAK3 P52333 1/20 0.73
MEN1 O00255 1/20 0.66
EIF2AK2 P19525 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
CHEK1 O14757 4/20 0.65
KIF11 P52732 1/20 0.56
MAP4K4 O95819 1/20 0.56

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
SCHEMBL5898639 0.90 JAK2 (0.65) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL4087748 0.90 IKBKB (0.73) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL1385889 0.85 JAK2 (1.00) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL3617795 0.85 CHEK1 (0.65) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL7055474 0.84 IKBKB (0.78) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL10051886 0.83 JAK2 (0.89) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL1563085 0.81 CHEK1 (0.53) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL1563080 0.81 CHEK1 (0.79) CHEK1
SCHEMBL717369 0.80 IKBKB (1.00) JAK2IKBKBJAK3MEN1EIF2AK2
SCHEMBL5898694 0.80 JAK2 (0.62) 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 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