SCHEMBL6581295

SCHEMBL6581295

CN1CCN(c2ccc(-c3nc4c(OC(N)=O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.56
AURKA O14965 1/20 0.56
PARP1 P09874 9/20 0.52
PARP2 Q9UGN5 3/20 0.51
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
CLK2 P49760 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2D Q13557 1/20 0.47
DYRK1A Q13627 1/20 0.47
PIM3 Q86V86 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
HPSE Q9Y251 1/20 0.47
CHEK2 O96017 3/20 0.46
DHODH Q02127 1/20 0.45
PRKCZ Q05513 1/20 0.45

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
SCHEMBL6584337 0.96 AURKB (0.53) AURKBAURKAPARP1PARP2PRKD3
SCHEMBL6581325 0.89 PARP1 (0.53) AURKBAURKAPARP1PARP2PRKD3
SCHEMBL6580718 0.89 AURKB (0.61) AURKBAURKAPARP1PRKD3MAP4K4
SCHEMBL6583802 0.88 PARP1 (0.60) AURKBAURKAPARP1PARP2PRKD3
SCHEMBL6580984 0.88 AURKB (0.75) AURKBAURKAPARP1PRKD3MAP4K4
SCHEMBL6584331 0.87 AURKB (0.50) AURKBAURKAPARP1PARP2PRKD3
SCHEMBL6590217 0.86 AURKA (0.59) AURKBAURKAPARP1PARP2DHODH
SCHEMBL6584369 0.86 PARP1 (0.50) AURKBAURKAPARP1PARP2PRKD3
SCHEMBL6580794 0.86 AURKB (0.57) AURKBAURKAPARP1PRKD3MAP4K4
SCHEMBL6581733 0.85 PARP1 (0.56) AURKBAURKAPARP1PARP2PRKD3

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