SCHEMBL6587470

SCHEMBL6587470

CN(C)CCNc1ncccc1-c1nc2c(OC(N)=O)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.43
PARP1 P09874 3/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 0.42
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
BRSK1 Q8TDC3 2/20 0.41
AURKB Q96GD4 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
ELANE P08246 1/20 0.41
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PKN2 Q16513 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
CBFB Q13951 2/20 0.40

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
SCHEMBL6590811 0.95 PIM1 (0.42) PDE5APARP1RAD52UHRF1PIM1
SCHEMBL7762876 0.91 PIM1 (0.46) PDE5APARP1PIM1PIM3BRSK1
Hydrochloric Acid SCHEMBL6585041 0.90 PIM1 (0.45) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6587676 0.88 PIM1 (0.53) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6586195 0.83 AURKB (0.48) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6587874 0.83 PIM1 (0.52) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6587326 0.82 AURKB (0.51) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6587070 0.82 AURKB (0.51) PDE5APARP1PIM1PIM3BRSK1
SCHEMBL6591524 0.82 AURKB (0.55) PARP1PIM1PIM3BRSK1AURKB
SCHEMBL6588369 0.81 PIM1 (0.47) PDE5APARP1PIM1PIM3BRSK1

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