SCHEMBL6441691

SCHEMBL6441691

NC(=O)Oc1cccc2[nH]c(-c3cccc(NCCN4CCCC4)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
PIM3 Q86V86 2/20 0.51
AURKB Q96GD4 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
FLT3 P36888 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
PARP1 P09874 16/20 0.50
DHODH Q02127 4/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
HPSE Q9Y251 1/20 0.40
PRKD3 O94806 1/20 0.39
SRC P12931 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
DYRK1A Q13627 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL6585214 0.88 AURKB (0.54) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL7162295 0.86 PIM1 (0.69) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6384304 0.86 PARP1 (0.45) PARP1DHODHHPSE
SCHEMBL6385741 0.84 PARP1 (0.60) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6587474 0.84 AURKB (0.54) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6380062 0.84 PARP1 (0.44) PARP1DHODHHPSE
SCHEMBL6382346 0.83 PARP1 (0.60) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6585672 0.83 AURKB (0.54) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6587042 0.83 AURKB (0.75) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL6383290 0.82 DYRK3 (0.51) PIM1PIM3AURKBMKNK2BRSK1

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