SCHEMBL2344574

SCHEMBL2344574

NC(=O)Nc1sc(-c2cccc(CNC(C(=O)O)C3CCCCC3)c2)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.59
IKBKB O14920 2/20 0.55
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDK2AP1 O14519 1/20 0.47

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
SCHEMBL2282391 1.00 CHEK1 (0.59) CHEK1IKBKBJAK2JAK3KDM4E
SCHEMBL2286306 0.89 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1147711 0.82 IKBKB (0.63) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2280534 0.81 CHEK1 (0.57) CHEK1IKBKBJAK2JAK3KDM4E
SCHEMBL2282752 0.80 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2282771 0.80 CHEK1 (0.55) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2344444 0.80 IKBKB (0.64) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2279395 0.80 IKBKB (0.64) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL2346009 0.80 CHEK1 (0.56) CHEK1IKBKBJAK2JAK3MEN1
SCHEMBL1148018 0.80 CHEK1 (0.56) CHEK1IKBKBJAK2JAK3MEN1

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 claimed