SCHEMBL6806569

SCHEMBL6806569

CN1CCCN(CCNc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.63
PIM1 P11309 2/20 0.63
PIM3 Q86V86 2/20 0.63
MKNK2 Q9HBH9 2/20 0.63
FLT3 P36888 1/20 0.63
BRSK1 Q8TDC3 1/20 0.63
KDR P35968 2/20 0.62
PRKD3 O94806 1/20 0.62
SRC P12931 1/20 0.62
FLT4 P35916 1/20 0.62
CLK2 P49760 1/20 0.62
GSK3A P49840 1/20 0.62
DYRK1A Q13627 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
STK17A Q9UEE5 1/20 0.62
PARP1 P09874 15/20 0.61
AURKA O14965 3/20 0.59
DHODH Q02127 3/20 0.56
PARP2 Q9UGN5 4/20 0.53

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
SCHEMBL6810462 0.97 AURKB (0.66) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6806316 0.95 AURKB (0.70) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6811047 0.93 AURKB (0.63) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6805047 0.93 AURKB (0.72) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6801852 0.92 AURKB (0.71) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6806450 0.92 AURKB (0.74) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6801131 0.91 AURKB (0.64) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6810477 0.90 AURKB (0.69) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6805423 0.89 AURKB (0.64) AURKBPIM1PIM3MKNK2FLT3
SCHEMBL6810656 0.88 AURKB (0.66) AURKBPIM1PIM3MKNK2FLT3

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