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SCHEMBL2970682

SCHEMBL2970682

N#CCCCCOc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.70
▸ IKBKB O14920 3/20 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
▸ JAK3 P52333 1/20 0.55

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
SCHEMBL490930 0.82 CHEK1 (0.69) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL490632 0.82 CHEK1 (0.69) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL490619 0.81 CHEK1 (0.70) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL491021 0.81 CHEK1 (0.70) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4093829 0.81 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2970675 0.81 CHEK1 (0.63) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL3612892 0.81 CHEK1 (0.66) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1929626 0.80 CHEK1 (1.00) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL1382705 0.79 IKBKB (0.69) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL4087425 0.79 CHEK1 (0.80) CHEK1IKBKBJAK2MEN1EIF2AK2

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
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 — — EP disclosed