SCHEMBL6581364

SCHEMBL6581364

CCN(CC)CCOc1cccc(-c2nc3c(OC(N)=O)cccc3[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
PIM1 P11309 2/20 0.62
PIM3 Q86V86 2/20 0.62
AURKB Q96GD4 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
STK17A Q9UEE5 2/20 0.62
MAP4K5 Q9Y4K4 2/20 0.62
DYRK3 O43781 1/20 0.62
RPS6KB1 P23443 1/20 0.62
CSNK2A1 P68400 1/20 0.62
PKN2 Q16513 1/20 0.62
BRSK1 Q8TDC3 1/20 0.62
HIPK2 Q9H2X6 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
CHEK1 O14757 1/20 0.62
LCK P06239 1/20 0.62
CSF1R P07333 1/20 0.62
PHKG2 P15735 1/20 0.62
MARK3 P27448 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL6584057 0.95 PIM1 (0.58) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6582905 0.90 MAP4K4 (0.75) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6579124 0.90 MAP4K4 (0.75) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6580865 0.90 MAP4K4 (0.57) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6581316 0.89 MAP4K4 (0.55) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL3577449 0.87 PIM1 (0.82) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6583305 0.86 DYRK3 (0.57) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6579002 0.86 MAP4K4 (0.68) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6584116 0.85 DYRK3 (0.56) MAP4K4PIM1PIM3AURKBCLK4
SCHEMBL6383270 0.85 PARP1 (0.51) MAP4K4PIM1PIM3AURKBCLK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 EP disclosed
EP-1127052-B1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-12-08 EP disclosed
EP-1391457-A1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors Abbott GmbH & Co. KG (DE) 2004-02-25 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
EP-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed