SCHEMBL3574583

SCHEMBL3574583

CC(C)(C)ON1CCN(c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.49
AURKA O14965 2/20 0.49
CHEK2 O96017 7/20 0.46
ACHE P22303 1/20 0.41
PARP1 P09874 5/20 0.39
PLA2G2A P14555 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDR P35968 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2D Q13557 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38

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
SCHEMBL3587289 0.86 AURKA (0.56) AURKBAURKACHEK2PARP1PARP2
SCHEMBL3574580 0.84 AURKA (0.66) AURKBAURKACHEK2PARP1PLA2G2A
SCHEMBL3576337 0.83 PARP1 (0.49) AURKBAURKACHEK2PARP1
SCHEMBL3576982 0.83 AURKA (0.52) AURKBAURKACHEK2ACHEPARP1
SCHEMBL3582282 0.83 AURKB (0.61) AURKBAURKACHEK2ACHEPARP1
SCHEMBL3580358 0.82 PARP1 (0.53) AURKBAURKACHEK2PARP1PARP2
SCHEMBL3577227 0.82 AURKA (0.53) AURKBAURKACHEK2PARP1PARP2
SCHEMBL3574441 0.80 AURKA (0.75) AURKBAURKACHEK2ACHEPARP1
SCHEMBL3582849 0.80 AURKB (0.58) AURKBAURKACHEK2ACHEPARP1
SCHEMBL3579920 0.80 AURKA (0.49) AURKBAURKACHEK2ACHEPARP1

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-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed