SCHEMBL3586486

SCHEMBL3586486

COc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1OCCN(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.76
MAP4K4 O95819 2/20 0.74
PIM1 P11309 2/20 0.74
PIM3 Q86V86 2/20 0.74
AURKB Q96GD4 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
STK17A Q9UEE5 2/20 0.74
MAP4K5 Q9Y4K4 2/20 0.74
PKN2 Q16513 2/20 0.74
DYRK3 O43781 1/20 0.74
RPS6KB1 P23443 1/20 0.74
CSNK2A1 P68400 1/20 0.74
BRSK1 Q8TDC3 1/20 0.74
HIPK2 Q9H2X6 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
CHEK1 O14757 1/20 0.60
LCK P06239 1/20 0.60
CSF1R P07333 1/20 0.60
PHKG2 P15735 1/20 0.60
MARK3 P27448 1/20 0.60

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
SCHEMBL6584505 0.88 MAP4K4 (0.57) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3577816 0.85 MAP4K4 (1.00) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3586495 0.85 ADORA2A (0.56) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL3582877 0.82 PARP1 (0.69) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6805372 0.79 PKN2 (0.63) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL7137094 0.78 PARP1 (0.80) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL7131923 0.77 PARP1 (0.79) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL7134204 0.76 PARP1 (0.67) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL5450300 0.76 PARP1 (0.69) PARP1PKN2PKN1PLA2G2AALOX15
SCHEMBL4321727 0.76 PARP1 (1.00) PARP1MAP4K4PIM1PIM3AURKB

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