SCHEMBL6586664

SCHEMBL6586664

CCN(CC)CCNc1cccc(-c2nc3c(OC(N)=O)cccc3[nH]2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.67
PIM3 Q86V86 5/20 0.67
AURKB Q96GD4 5/20 0.67
MKNK2 Q9HBH9 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
GSK3A P49840 3/20 0.67
DYRK1A Q13627 3/20 0.67
BRSK1 Q8TDC3 3/20 0.67
PRKD3 O94806 2/20 0.67
PRKCG P05129 1/20 0.67
RPS6KA3 P51812 1/20 0.67
PRKCD Q05655 1/20 0.67
FLT3 P36888 2/20 0.49
STK17A Q9UEE5 3/20 0.48
KDR P35968 2/20 0.48
CLK2 P49760 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
SRC P12931 1/20 0.48
FLT4 P35916 1/20 0.48
PARP1 P09874 10/20 0.44

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
SCHEMBL6591529 0.94 PIM1 (0.75) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6805331 0.85 PIM1 (0.89) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6591082 0.84 AURKB (0.50) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6382252 0.84 PIM1 (0.53) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6589590 0.84 PIM1 (0.47) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6591203 0.83 PIM1 (0.54) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL7762876 0.83 PIM1 (0.46) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6385466 0.82 PIM1 (0.47) PIM1PIM3AURKBMKNK2CLK4
SCHEMBL6590900 0.82 PIM1 (0.53) PIM1PIM3AURKBMKNK2CLK4
Hydrochloric Acid SCHEMBL6585041 0.82 PIM1 (0.45) PIM1PIM3AURKBMKNK2CLK4

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
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed