SCHEMBL2925535

SCHEMBL2925535

NC(=O)Nc1sc(-c2ccc(CN3CCOCC3)nc2)cc1OC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
KCNH2 Q12809 2/20 0.43
JAK3 P52333 1/20 0.43
MAPK14 Q16539 2/20 0.43
CHEK1 O14757 3/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TBK1 Q9UHD2 8/20 0.40
IKBKE Q14164 7/20 0.40
HRH3 Q9Y5N1 2/20 0.39
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
LYN P07948 1/20 0.38
BRAF P15056 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38
MAPK9 P45984 1/20 0.38
PDE7A Q13946 1/20 0.38

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
SCHEMBL2934362 0.86 CHEK1 (0.58) JAK2KCNH2JAK3CHEK1HIF1A
SCHEMBL1928801 0.85 CHEK1 (0.59) JAK2KCNH2JAK3CHEK1
SCHEMBL2931062 0.83 CHEK1 (0.59) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL2928252 0.82 CHEK1 (0.42) JAK2KCNH2JAK3CHEK1IKBKE
SCHEMBL2933735 0.82 CHEK1 (0.44) JAK2KCNH2JAK3CHEK1
SCHEMBL2932197 0.82 CHEK1 (0.48) JAK2KCNH2JAK3CHEK1ABL1
SCHEMBL5243288 0.81 CHEK1 (0.41) JAK2KCNH2JAK3CHEK1TBK1
SCHEMBL2932975 0.81 PTGER1 (0.43) JAK2KCNH2JAK3CHEK1HIF1A
SCHEMBL2930060 0.77 CHEK1 (0.70) JAK2CHEK1TBK1
SCHEMBL2933445 0.76 CHEK1 (0.72) CHEK1HRH3

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