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SCHEMBL7051439

SCHEMBL7051439

CNC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O.COC(=O)c1cc(-c2ccccc2)sc1NC(N)=O.NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.67
▸ JAK2 O60674 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ EIF2AK2 P19525 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ JAK3 P52333 1/20 0.63
▸ CHEK1 O14757 6/20 0.58
▸ MAP4K4 O95819 1/20 0.58

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
SCHEMBL7057528 0.89 IKBKB (0.52) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7056909 0.87 IKBKB (0.82) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898657 0.86 IKBKB (0.76) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL28374187 0.86 IKBKB (0.76) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL5898667 0.84 IKBKB (0.74) IKBKBJAK2JAK3CHEK1MAP4K4
SCHEMBL1563696 0.84 IKBKB (0.74) IKBKBJAK2MEN1KMT2AJAK3
SCHEMBL717369 0.82 IKBKB (1.00) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7055914 0.81 JAK2 (0.61) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL1385889 0.79 JAK2 (1.00) IKBKBJAK2MEN1EIF2AK2KMT2A
SCHEMBL7058437 0.78 IKBKB (0.54) 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 claimed