SCHEMBL7058749

SCHEMBL7058749

CNC(=O)Nc1sc(-c2cccc(C(C)=O)c2)cc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.57
JAK2 O60674 2/20 0.57
JAK3 P52333 1/20 0.57
CHEK1 O14757 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL10051888 0.89 IKBKB (0.73) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898667 0.87 IKBKB (0.74) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7052455 0.85 IKBKB (0.60) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7057743 0.85 IKBKB (0.60) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898681 0.84 JAK2 (0.61) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7055914 0.84 JAK2 (0.61) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7056909 0.84 IKBKB (0.82) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL7058327 0.81 IKBKB (0.58) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898642 0.81 IKBKB (0.58) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL5898657 0.80 IKBKB (0.76) IKBKBJAK2JAK3CHEK1MAP4K4

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