SCHEMBL3579908

SCHEMBL3579908

NC(=O)c1cccc2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.61
DHODH Q02127 3/20 0.58
CHEK2 O96017 4/20 0.52
PLK4 O00444 1/20 0.48
MAPK13 O15264 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
RPS6KA5 O75582 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
PHKG2 P15735 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CSNK1D P48730 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
PRKX P51817 1/20 0.48
PRKCZ Q05513 1/20 0.48
STK3 Q13188 1/20 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
SCHEMBL2149454 0.88 PARP1 (0.63) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL6809996 0.88 PKN1 (0.63) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL696548 0.88 DHODH (0.56) PARP1DHODHPIM1TNKSTNKS2
SCHEMBL6810707 0.87 PARP1 (0.48) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL3585144 0.86 PARP1 (0.64) PARP1DHODHPLK4MAP4K4PIM1
SCHEMBL15958955 0.85 PARP1 (0.47) PARP1DHODHCHEK2TNKSTNKS2
SCHEMBL6806964 0.85 PKN1 (0.65) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL29696369 0.85 NPC1 (0.53) PARP1DHODHCSNK1DNPC1RAB9A
SCHEMBL7583436 0.84 PARP1 (0.66) PARP1DHODHCHEK2PLK4MAPK13
SCHEMBL17048129 0.84 KDM4E (0.56) PARP1DHODHCHEK2PLK4MAPK13

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841924-B1 BENZIMIDAZOLE COMPOUNDS UNIV NEWCASTLE VENTURES LTD (GB) 2002-10-02 EP claimed
US-6310082-B1 PHARMACEUTICAL COMPOSITION COMPRISING EFFECTIVE POLY(ADP-RIBOSE)POLYMERASE ENZYME INHIBITING AMOUNT OF BENZIMIDAZOLE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT AND/OR PRO-DRUG FORM THEREOF, WITH ACCEPTABLE CARRIER NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-30 US claimed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP claimed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO claimed
CN-107915748-B Preparation method of 4- (tert-butyl) -1-phenyl-imidazo [4,5,1-kl ] phenoxazine 华东师范大学 2020-05-12 CN disclosed
CN-107915748-A A kind of preparation method of 4 (tert-butyl group) 1 phenylimidazoles simultaneously [4,5,1 kl] phenoxazine 华东师范大学 2018-04-17 CN disclosed
EP-1391457-B1 Substituted 2-Phenylbenzimidazoles and their use as PARP inhibitors ABBVIE DEUTSCHLAND (DE) 2013-12-25 EP disclosed
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed
EP-1171424-B1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2009-05-27 EP disclosed
CN-101309686-A Unit dosage forms of temozolomide SCHERING CORP (US) 2008-11-19 CN disclosed
EP-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000064878-A1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed
US-6100283-A PRODRUG PHOSPHATE DERIVATIVE FOR POLY (ADP-RIBOSE) POLYMERASE ENZYME INHIBITOR FOR ADMINISTERING IN CONJUNCTION WITH ANTITUMOR DRUG OR RADIOTHERAPY NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2000-08-08 US disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed
WO-2000029384-A1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
EP-0841924-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-05-20 EP disclosed
WO-1997004771-A1 BENZIMIDAZOLE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1997-02-13 WO disclosed