SCHEMBL7140618

SCHEMBL7140618

CCN(CC)CCc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.70
PIM1 P11309 3/20 0.64
PIM3 Q86V86 3/20 0.64
AURKB Q96GD4 3/20 0.64
CLK4 Q9HAZ1 3/20 0.64
MAP4K4 O95819 2/20 0.64
STK17A Q9UEE5 2/20 0.64
MAP4K5 Q9Y4K4 2/20 0.64
GSK3A P49840 2/20 0.64
DYRK1A Q13627 2/20 0.64
CHEK1 O14757 1/20 0.64
LCK P06239 1/20 0.64
CSF1R P07333 1/20 0.64
PHKG2 P15735 1/20 0.64
MARK3 P27448 1/20 0.64
KDR P35968 1/20 0.64
FLT3 P36888 1/20 0.64
CLK2 P49760 1/20 0.64
ITK Q08881 1/20 0.64
MAP4K2 Q12851 1/20 0.64

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
SCHEMBL7138597 0.89 PARP1 (0.80) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7137094 0.89 PARP1 (0.80) PARP1PIM1PIM3AURKBCLK4
SCHEMBL6383270 0.85 PARP1 (0.51) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7136544 0.85 PARP1 (0.78) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7140624 0.83 PARP1 (0.48) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7141034 0.83 PARP1 (0.72) PARP1DHODH
SCHEMBL7141806 0.83 PIM1 (0.61) PARP1PIM1PIM3AURKBCLK4
SCHEMBL3577449 0.83 PIM1 (0.82) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7134234 0.83 PARP1 (1.00) PARP1PIM1PIM3AURKBCLK4
SCHEMBL7861250 0.82 MGAM (0.56) PARP1

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