SCHEMBL7141806

SCHEMBL7141806

CCN(CC)CCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.61
PIM3 Q86V86 3/20 0.61
AURKB Q96GD4 3/20 0.61
CLK4 Q9HAZ1 3/20 0.61
GSK3A P49840 2/20 0.61
DYRK1A Q13627 2/20 0.61
MAP4K4 O95819 2/20 0.61
STK17A Q9UEE5 2/20 0.61
MAP4K5 Q9Y4K4 2/20 0.61
CHEK1 O14757 1/20 0.61
LCK P06239 1/20 0.61
CSF1R P07333 1/20 0.61
PHKG2 P15735 1/20 0.61
MARK3 P27448 1/20 0.61
KDR P35968 1/20 0.61
FLT3 P36888 1/20 0.61
CLK2 P49760 1/20 0.61
ITK Q08881 1/20 0.61
MAP4K2 Q12851 1/20 0.61
MARK2 Q7KZI7 1/20 0.61

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
SCHEMBL6385466 0.86 PIM1 (0.47) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6806960 0.86 PIM1 (0.63) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7134704 0.86 PARP1 (0.64) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7133552 0.84 PARP1 (0.61) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7140618 0.83 PARP1 (0.70) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6805706 0.83 AURKB (0.65) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6805331 0.81 PIM1 (0.89) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6841123 0.81 PIM1 (0.61) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL7138597 0.81 PARP1 (0.80) PIM1PIM3AURKBCLK4GSK3A
SCHEMBL6378805 0.81 PIM1 (0.52) PIM1PIM3AURKBCLK4GSK3A

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-6509365-B1 2-phenylbenzimidazoles and 2-phenylindoles, and production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2003-01-21 US disclosed