SCHEMBL6809867

SCHEMBL6809867

CCN(CC)CCCOc1ccncc1-c1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.42
DYRK1A Q13627 3/20 0.42
PIM1 P11309 3/20 0.42
PIM3 Q86V86 3/20 0.42
AURKB Q96GD4 3/20 0.42
GSK3A P49840 2/20 0.42
CLK2 P49760 2/20 0.42
MAP4K4 O95819 2/20 0.42
STK17A Q9UEE5 2/20 0.42
MAP4K5 Q9Y4K4 2/20 0.42
CHEK1 O14757 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
PHKG2 P15735 1/20 0.42
MARK3 P27448 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
ITK Q08881 1/20 0.42
MAP4K2 Q12851 1/20 0.42
MARK2 Q7KZI7 1/20 0.42

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
SCHEMBL6810124 0.95 CLK4 (0.47) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6806567 0.91 CHEK2 (0.42) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6805384 0.88 CLK4 (0.44) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6809854 0.85 PIM1 (0.60) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6806267 0.82 HTR1A (0.43) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6809941 0.82 PARP1 (0.48) PIM1PIM3AURKBFLT3BRSK1
SCHEMBL6806139 0.81 IKBKB (0.52) CLK4DYRK1AAURKBCLK2LCK
SCHEMBL6810121 0.81 HTR1A (0.41) CLK4DYRK1APIM1PIM3AURKB
SCHEMBL6805803 0.81 PARP1 (0.49) PARP1LMNAMEN1MAPTKMT2A
SCHEMBL6806306 0.81 PARP1 (0.47) PIM1PIM3AURKBCSF1RFLT3

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