SCHEMBL6583305

SCHEMBL6583305

NCCOc1cccc(-c2nc3c(OC(N)=O)cccc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.57
MAP4K4 O95819 1/20 0.57
PIM1 P11309 1/20 0.57
RPS6KB1 P23443 1/20 0.57
CSNK2A1 P68400 1/20 0.57
PKN2 Q16513 1/20 0.57
PIM3 Q86V86 1/20 0.57
BRSK1 Q8TDC3 1/20 0.57
AURKB Q96GD4 1/20 0.57
HIPK2 Q9H2X6 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
STK17A Q9UEE5 1/20 0.57
MAP4K5 Q9Y4K4 1/20 0.57
PARP1 P09874 7/20 0.52
HDAC6 Q9UBN7 9/20 0.48
HDAC3 O15379 8/20 0.48
HDAC4 P56524 8/20 0.48
HDAC1 Q13547 8/20 0.48
HDAC7 Q8WUI4 8/20 0.48

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
SCHEMBL6584116 0.95 DYRK3 (0.56) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6579124 0.88 MAP4K4 (0.75) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6581364 0.86 MAP4K4 (0.62) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6584057 0.85 PIM1 (0.58) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3580297 0.85 MAP4K4 (0.77) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6380066 0.83 PARP1 (0.55) PIM1PIM3AURKBPARP1
SCHEMBL6383675 0.82 PARP1 (0.57) PIM1PIM3AURKBPARP1DHODH
SCHEMBL6584213 0.82 DYRK3 (0.50) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6578530 0.81 PARP1 (0.67) PARP1DHODH
SCHEMBL6384304 0.80 PARP1 (0.45) PARP1DHODH

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 5 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
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