SCHEMBL2348033

SCHEMBL2348033

CC(C)C[C@H](NC/C=C/c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(F)c1)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.41
MAPK14 Q16539 3/20 0.38
IKBKB O14920 3/20 0.38
JAK2 O60674 2/20 0.38
MEN1 O00255 1/20 0.38
EIF2AK2 P19525 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
JAK3 P52333 1/20 0.35

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
SCHEMBL2348039 1.00 CHEK1 (0.41) CHEK1MAPK14IKBKBJAK2MEN1
SCHEMBL2348042 1.00 CHEK1 (0.41) CHEK1MAPK14IKBKBJAK2MEN1
SCHEMBL2280684 0.92 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2280680 0.92 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2280687 0.92 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2341718 0.91 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2341719 0.91 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2341716 0.91 CHEK1 (0.40) CHEK1IKBKBJAK2MEN1EIF2AK2
SCHEMBL2347663 0.91 CHEK1 (0.38) CHEK1MAPK14IKBKBJAK2MEN1
SCHEMBL2347659 0.91 CHEK1 (0.38) CHEK1MAPK14IKBKBJAK2MEN1

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-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed