SCHEMBL3575812

SCHEMBL3575812

CCN(CC)CCCOc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.90
PIM3 Q86V86 3/20 0.90
AURKB Q96GD4 3/20 0.90
CLK4 Q9HAZ1 3/20 0.90
MAP4K4 O95819 2/20 0.90
STK17A Q9UEE5 2/20 0.90
MAP4K5 Q9Y4K4 2/20 0.90
GSK3A P49840 2/20 0.90
DYRK1A Q13627 2/20 0.90
CHEK1 O14757 1/20 0.90
LCK P06239 1/20 0.90
CSF1R P07333 1/20 0.90
PHKG2 P15735 1/20 0.90
MARK3 P27448 1/20 0.90
KDR P35968 1/20 0.90
FLT3 P36888 1/20 0.90
CLK2 P49760 1/20 0.90
ITK Q08881 1/20 0.90
MAP4K2 Q12851 1/20 0.90
MARK2 Q7KZI7 1/20 0.90

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
SCHEMBL3575237 0.95 MAP4K4 (1.00) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL3578575 0.90 PIM1 (0.77) PIM1PIM3AURKBCLK4MAP4K4
Hydrochloric Acid SCHEMBL6806010 0.87 AURKB (0.69) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL6579002 0.86 MAP4K4 (0.68) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL3580315 0.85 MAP4K4 (0.82) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL3577449 0.85 PIM1 (0.82) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL16366311 0.85 PARP1 (0.76) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL3575819 0.84 CHEK1 (0.65) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL6805282 0.84 PIM1 (0.70) PIM1PIM3AURKBCLK4MAP4K4
SCHEMBL3580805 0.83 MAP4K4 (0.79) PIM1PIM3AURKBCLK4MAP4K4

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