SCHEMBL6799871

SCHEMBL6799871

CN(C)CCCNc1ncccc1-c1nc2c(C(N)=O)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.57
PIM3 Q86V86 5/20 0.57
AURKB Q96GD4 5/20 0.57
CLK4 Q9HAZ1 5/20 0.57
MKNK2 Q9HBH9 4/20 0.57
GSK3A P49840 4/20 0.57
DYRK1A Q13627 4/20 0.57
BRSK1 Q8TDC3 3/20 0.57
PRKD3 O94806 3/20 0.57
PRKCG P05129 1/20 0.57
RPS6KA3 P51812 1/20 0.57
PRKCD Q05655 1/20 0.57
STK17A Q9UEE5 4/20 0.52
PKN2 Q16513 3/20 0.52
MAP4K4 O95819 3/20 0.52
DYRK3 O43781 2/20 0.52
RPS6KB1 P23443 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
CSNK2A1 P68400 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52

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
SCHEMBL6809666 0.91 PIM1 (0.70) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6590811 0.86 PIM1 (0.42) PIM1PIM3AURKBCLK4MKNK2
Hydrochloric Acid SCHEMBL6803487 0.86 PIM1 (0.61) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6799887 0.85 KDM4E (0.44) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6805747 0.83 AURKB (0.71) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6807413 0.83 AURKB (0.62) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6805542 0.82 AURKB (0.61) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6811018 0.82 AURKB (0.61) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6803635 0.81 AURKB (0.61) PIM1PIM3AURKBCLK4MKNK2
SCHEMBL6805696 0.81 AURKB (0.63) PIM1PIM3AURKBCLK4MKNK2

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