SCHEMBL6586038

SCHEMBL6586038

CCN(CC)CCOc1ccncc1-c1nc2c(OC(N)=O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.51
PIM3 Q86V86 4/20 0.51
AURKB Q96GD4 4/20 0.51
CLK4 Q9HAZ1 4/20 0.51
GSK3A P49840 3/20 0.51
DYRK1A Q13627 3/20 0.51
MAP4K4 O95819 3/20 0.51
STK17A Q9UEE5 3/20 0.51
MAP4K5 Q9Y4K4 2/20 0.51
PHKG2 P15735 2/20 0.51
CLK2 P49760 2/20 0.51
PRKD2 Q9BZL6 2/20 0.51
CHEK1 O14757 1/20 0.51
LCK P06239 1/20 0.51
CSF1R P07333 1/20 0.51
MARK3 P27448 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
ITK Q08881 1/20 0.51
MAP4K2 Q12851 1/20 0.51

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
SCHEMBL6586074 0.95 PIM1 (0.46) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6585966 0.91 PKN2 (0.48) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6810110 0.88 PIM1 (0.66) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6585579 0.88 PKN2 (0.43) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7764199 0.85 PIM1 (0.55) PIM1PIM3AURKBCLK4GSK3A
Hydrochloric Acid SCHEMBL6587717 0.84 PIM1 (0.54) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6809854 0.84 PIM1 (0.60) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7763607 0.83 AURKB (0.58) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6587758 0.82 PARP1 (0.57) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6583719 0.81 PARP1 (0.43) PIM1PIM3AURKBCLK4GSK3A

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