SCHEMBL7051641

SCHEMBL7051641

CNC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.56
JAK2 O60674 2/20 0.56
MEN1 O00255 1/20 0.56
EIF2AK2 P19525 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CHEK1 O14757 4/20 0.56
JAK3 P52333 1/20 0.56
MAP4K4 O95819 1/20 0.51

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
SCHEMBL5898681 0.89 JAK2 (0.61) IKBKBJAK2CHEK1JAK3MAP4K4
SCHEMBL5898642 0.88 IKBKB (0.58) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7058327 0.88 IKBKB (0.58) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898657 0.87 IKBKB (0.76) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898667 0.86 IKBKB (0.74) IKBKBJAK2CHEK1JAK3MAP4K4
SCHEMBL5898665 0.86 IKBKB (0.59) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL4086623 0.86 IKBKB (0.74) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7055217 0.85 IKBKB (0.54) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7058742 0.85 IKBKB (0.64) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7058344 0.85 CHEK1 (0.79) IKBKBJAK2MEN1EIF2AK2KMT2A

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