SCHEMBL6578697

SCHEMBL6578697

NC(=O)Oc1cccc2[nH]c(-c3ccc(-n4ccnc4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.47
PARP1 P09874 12/20 0.47
PARP2 Q9UGN5 3/20 0.47
AURKB Q96GD4 2/20 0.46
CHEK2 O96017 2/20 0.46
PLK4 O00444 1/20 0.46
MAPK13 O15264 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
PHKG2 P15735 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
PRKX P51817 1/20 0.46

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
SCHEMBL6582804 0.89 HPSE (0.47) HPSEPARP1PARP2AURKBCHEK2
SCHEMBL6583754 0.86 KDM4E (0.47) HPSEPARP1PARP2AURKBPRKD3
SCHEMBL3575386 0.84 PARP1 (0.67) PARP1PARP2AURKBCHEK2PLK4
SCHEMBL6590709 0.82 PKN1 (0.66) HPSEPARP1PARP2AURKBCHEK2
SCHEMBL6580981 0.81 KDR (0.56) HPSEPARP1AURKBCHEK2DHODH
SCHEMBL6582945 0.81 AURKB (0.47) HPSEPARP1PARP2AURKBCHEK2
SCHEMBL6591184 0.80 AURKB (0.44) HPSEPARP1PARP2AURKBCHEK2
SCHEMBL6587289 0.80 PARP1 (0.49) HPSEPARP1AURKBCHEK2PLK4
SCHEMBL3585590 0.79 PKN1 (0.54) PARP1PARP2AURKBCHEK2PLK4
SCHEMBL6586096 0.79 PARP1 (0.53) HPSEPARP1PARP2AURKBCHEK2

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 4 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