SCHEMBL6590773

SCHEMBL6590773

CCN(CC)C(C)Oc1ccc(-c2nc3c(OC(N)=O)cccc3[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
STK17A Q9UEE5 2/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
CHEK1 O14757 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
PHKG2 P15735 1/20 0.43
MARK3 P27448 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
ITK Q08881 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DYRK1A Q13627 1/20 0.43
MARK2 Q7KZI7 1/20 0.43

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
SCHEMBL7763607 0.83 AURKB (0.58) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL7762870 0.83 AURKB (0.53) AURKBMAP4K4PIM1PIM3CLK4
Hydrochloric Acid SCHEMBL6586250 0.82 AURKB (0.52) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL6587283 0.79 DHODH (0.53) AURKBKDRPARP1DHODHAURKA
SCHEMBL6583962 0.77 PIM1 (0.53) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL6591082 0.76 AURKB (0.50) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL6590964 0.76 PARP1 (0.47) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL6379799 0.75 PARP1 (0.56) AURKBMAP4K4PIM1PIM3CLK4
SCHEMBL6586780 0.75 AURKB (0.52) AURKBPIM1PIM3CLK4STK17A
SCHEMBL6582905 0.74 MAP4K4 (0.75) AURKBMAP4K4PIM1PIM3CLK4

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-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed