SCHEMBL3582877

SCHEMBL3582877

CN(C)CCOc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.69
MAP4K4 O95819 2/20 0.67
PIM1 P11309 2/20 0.67
PIM3 Q86V86 2/20 0.67
AURKB Q96GD4 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
STK17A Q9UEE5 2/20 0.67
MAP4K5 Q9Y4K4 2/20 0.67
DYRK3 O43781 1/20 0.67
RPS6KB1 P23443 1/20 0.67
CSNK2A1 P68400 1/20 0.67
PKN2 Q16513 1/20 0.67
BRSK1 Q8TDC3 1/20 0.67
HIPK2 Q9H2X6 1/20 0.67
MKNK2 Q9HBH9 1/20 0.67
CHEK1 O14757 1/20 0.56
LCK P06239 1/20 0.56
CSF1R P07333 1/20 0.56
PHKG2 P15735 1/20 0.56
MARK3 P27448 1/20 0.56

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
SCHEMBL6805372 0.88 PKN2 (0.63) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6578295 0.88 PARP1 (0.52) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3582880 0.83 ALDH1A1 (0.47) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6806556 0.83 PKN2 (0.57) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3586486 0.82 PARP1 (0.76) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3577816 0.80 MAP4K4 (1.00) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6810110 0.79 PIM1 (0.66) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6585966 0.77 PKN2 (0.48) PARP1MAP4K4PIM1PIM3AURKB
Hydrochloric Acid SCHEMBL6806554 0.77 PIM1 (0.69) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL29411925 0.76 PARP1 (0.72) PARP1MAP4K4PIM1PIM3AURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed