SCHEMBL6806635

SCHEMBL6806635

CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 1.00
PIM3 Q86V86 5/20 1.00
AURKB Q96GD4 5/20 1.00
MKNK2 Q9HBH9 4/20 1.00
GSK3A P49840 4/20 1.00
DYRK1A Q13627 4/20 1.00
CLK4 Q9HAZ1 4/20 1.00
PRKD3 O94806 3/20 1.00
BRSK1 Q8TDC3 3/20 1.00
PRKCG P05129 1/20 1.00
RPS6KA3 P51812 1/20 1.00
PRKCD Q05655 1/20 1.00
CLK2 P49760 3/20 0.67
PRKD2 Q9BZL6 3/20 0.67
STK17A Q9UEE5 3/20 0.67
KDR P35968 2/20 0.67
SRC P12931 1/20 0.67
FLT4 P35916 1/20 0.67
FLT3 P36888 2/20 0.64
MAP4K4 O95819 2/20 0.55

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
SCHEMBL6805331 0.94 PIM1 (0.89) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6591529 0.86 PIM1 (0.75) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6806642 0.85 PIM1 (0.73) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6799720 0.83 PIM1 (0.71) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6805282 0.82 PIM1 (0.70) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6809666 0.82 PIM1 (0.70) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6806290 0.80 AURKB (1.00) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6586664 0.80 PIM1 (0.67) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6806078 0.79 PIM1 (0.72) PIM1PIM3AURKBMKNK2GSK3A
SCHEMBL6805343 0.78 PIM1 (0.65) PIM1PIM3AURKBMKNK2GSK3A

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
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed