SCHEMBL2932197

SCHEMBL2932197

NC(=O)Nc1sc(-c2cccc(CN3CCOCC3)c2)cc1OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.48
PARP1 P09874 1/20 0.44
LCK P06239 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43
HCK P08631 1/20 0.43
FGR P09769 1/20 0.43
SRC P12931 1/20 0.43
EPHA3 P29320 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
SYK P43405 1/20 0.43
BTK Q06187 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
PSMB8 P28062 1/20 0.43
KCNH2 Q12809 2/20 0.42
ABL1 P00519 1/20 0.42
NCF1 P14598 1/20 0.42
NOS1 P29475 1/20 0.42

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 0.91 CHEK1 (0.58) CHEK1PARP1KCNH2JAK2JAK3
SCHEMBL2931062 0.88 CHEK1 (0.59) CHEK1PARP1KCNH2JAK2JAK3
SCHEMBL1928891 0.85 CHEK1 (0.66) CHEK1PARP1KCNH2JAK2JAK3
SCHEMBL2933735 0.83 CHEK1 (0.44) CHEK1DDR1KCNH2JAK2JAK3
SCHEMBL2928252 0.83 CHEK1 (0.42) CHEK1KCNH2JAK2JAK3IKBKB
SCHEMBL5243288 0.82 CHEK1 (0.41) CHEK1KCNH2JAK2JAK3FAAH
SCHEMBL2925535 0.82 JAK2 (0.43) CHEK1LYNEPHA3KCNH2ABL1
SCHEMBL2930060 0.82 CHEK1 (0.70) CHEK1JAK2IKBKBALDH1A1
SCHEMBL2933445 0.81 CHEK1 (0.72) CHEK1IKBKBALDH1A1
SCHEMBL2932975 0.79 PTGER1 (0.43) CHEK1KCNH2JAK2JAK3RAB9A

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