SCHEMBL2933336

SCHEMBL2933336

NC(=O)Nc1sc(-c2ccc(CN3CCC(F)(F)CC3)cc2)cc1OC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.56
MAP3K7 O43318 1/20 0.46
IKBKB O14920 3/20 0.42
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MEN1 O00255 1/20 0.39
EIF2AK2 P19525 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2930060 0.89 CHEK1 (0.70) CHEK1MAP3K7IKBKBJAK2MEN1
SCHEMBL2933445 0.88 CHEK1 (0.72) CHEK1MAP3K7IKBKBMEN1KMT2A
SCHEMBL2934362 0.86 CHEK1 (0.58) CHEK1MAP3K7IKBKBJAK2JAK3
SCHEMBL2933039 0.86 CHEK1 (0.73) CHEK1MAP3K7IKBKBHDAC6
SCHEMBL2932566 0.85 CHEK1 (0.57) CHEK1MAP3K7IKBKBJAK2JAK1
SCHEMBL1928778 0.85 CHEK1 (0.77) CHEK1MAP3K7IKBKBJAK2JAK3
SCHEMBL2928699 0.84 CHEK1 (0.59) CHEK1MAP3K7IKBKBJAK2JAK1
SCHEMBL2932338 0.83 CHEK1 (0.55) CHEK1MAP3K7IKBKBJAK2JAK1
SCHEMBL2931062 0.83 CHEK1 (0.59) CHEK1MAP3K7IKBKBJAK2JAK3
SCHEMBL2933338 0.82 CHEK1 (0.52) CHEK1MAP3K7IKBKBJAK1

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 claimed