SCHEMBL6379799

SCHEMBL6379799

CCN(CC)Cc1ccc(-c2nc3c(OC(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.56
CHEK1 O14757 1/20 0.52
MAP4K4 O95819 1/20 0.52
LCK P06239 1/20 0.52
CSF1R P07333 1/20 0.52
PIM1 P11309 1/20 0.52
PHKG2 P15735 1/20 0.52
MARK3 P27448 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
CLK2 P49760 1/20 0.52
GSK3A P49840 1/20 0.52
ITK Q08881 1/20 0.52
MAP4K2 Q12851 1/20 0.52
DYRK1A Q13627 1/20 0.52
MARK2 Q7KZI7 1/20 0.52
PIM3 Q86V86 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
AURKB Q96GD4 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52

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
SCHEMBL7859132 0.90 PARP1 (0.52) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6384736 0.90 PIM1 (0.56) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6379926 0.90 PARP1 (0.58) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6381105 0.89 PARP1 (0.71) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6582934 0.87 AURKB (0.51) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6384512 0.85 PARP1 (0.56) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6582905 0.84 MAP4K4 (0.75) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL29179981 0.84 PARP1 (0.79) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6378302 0.83 PARP1 (0.56) PARP1CHEK1MAP4K4LCKCSF1R
SCHEMBL6382252 0.83 PIM1 (0.53) PARP1CHEK1MAP4K4LCKCSF1R

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
EP-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed