SCHEMBL6812191

SCHEMBL6812191

CC(C)(C)N1CCCN(c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
AURKB Q96GD4 3/20 0.51
KDR P35968 1/20 0.48
PARP1 P09874 7/20 0.42
DGAT1 O75907 7/20 0.39
KCNH2 Q12809 4/20 0.39
TIPARP Q7Z3E1 1/20 0.38
CHEK2 O96017 1/20 0.37
JAK2 O60674 1/20 0.37
SOAT1 P35610 1/20 0.37

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
SCHEMBL6810290 0.96 AURKA (0.54) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6805914 0.89 AURKA (0.55) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6806130 0.88 AURKA (0.56) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6809975 0.88 AURKA (0.54) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6806391 0.88 AURKA (0.54) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6810130 0.86 AURKA (0.54) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6806351 0.86 AURKA (0.59) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6812181 0.86 AURKA (0.67) AURKAAURKBKDRPARP1
SCHEMBL6806887 0.86 AURKA (0.60) AURKAAURKBKDRPARP1DGAT1
SCHEMBL6802572 0.85 AURKA (0.64) AURKAAURKBKDRPARP1DGAT1

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