SCHEMBL2933338

SCHEMBL2933338

NC(=O)Nc1sc(-c2ccc(CN3CCC(O)C3)cc2)cc1OC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.52
MAP3K7 O43318 1/20 0.43
TNIK Q9UKE5 2/20 0.42
JAK1 P23458 4/20 0.42
IKBKB O14920 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL2932566 0.94 CHEK1 (0.57) CHEK1MAP3K7TNIKJAK1IKBKB
SCHEMBL2932338 0.86 CHEK1 (0.55) CHEK1MAP3K7JAK1IKBKB
SCHEMBL2930060 0.86 CHEK1 (0.70) CHEK1MAP3K7IKBKB
SCHEMBL2932064 0.85 CHEK1 (0.54) CHEK1MAP3K7IKBKB
SCHEMBL1927166 0.85 CHEK1 (0.72) CHEK1MAP3K7IKBKB
SCHEMBL2933445 0.85 CHEK1 (0.72) CHEK1MAP3K7IKBKB
SCHEMBL2933039 0.83 CHEK1 (0.73) CHEK1MAP3K7IKBKB
SCHEMBL2934362 0.83 CHEK1 (0.58) CHEK1MAP3K7IKBKB
SCHEMBL2926946 0.83 KDM4E (0.53) CHEK1
SCHEMBL2931228 0.83 CHEK1 (0.51) CHEK1MAP3K7JAK1IKBKB

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