SCHEMBL7055087

SCHEMBL7055087

NC(=O)NC(=O)c1cc(-c2ccc(F)cc2)sc1NC(N)=O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.78
JAK2 O60674 2/20 0.78
MEN1 O00255 1/20 0.78
EIF2AK2 P19525 1/20 0.78
KMT2A Q03164 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
HDAC6 Q9UBN7 1/20 0.78
CHEK1 O14757 15/20 0.62
CDK2AP1 O14519 2/20 0.61
MAP4K4 O95819 1/20 0.59
JAK3 P52333 1/20 0.57

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
SCHEMBL7057178 0.88 CHEK1 (0.76) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL717369 0.87 IKBKB (1.00) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL3086954 0.86 IKBKB (0.82) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7051438 0.86 CHEK1 (0.82) IKBKBJAK2CHEK1CDK2AP1MAP4K4
SCHEMBL28374187 0.83 IKBKB (0.76) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL3614116 0.79 IKBKB (0.81) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL1563692 0.77 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL4215417 0.77 CHEK1 (0.70) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898645 0.77 IKBKB (0.80) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7055239 0.77 CHEK1 (1.00) IKBKBJAK2CHEK1CDK2AP1MAP4K4

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