SCHEMBL6535585

SCHEMBL6535585

Cc1c[nH]c(=O)c(-c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.54
TTK P33981 1/20 0.54
AURKB Q96GD4 1/20 0.54
INCENP Q9NQS7 1/20 0.54
CYP2A6 P11509 3/20 0.47
ACLY P53396 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALK Q9UM73 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
PDGFRB P09619 1/20 0.45
CYP3A4 P08684 2/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP11 Q9NR21 1/20 0.45
TDO2 P48775 2/20 0.44

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
SCHEMBL4711610 0.80 PDE3B (0.49) AURKATTKAURKBINCENPKMT2A
SCHEMBL3774319 0.80 PARP1 (0.53) AURKATTKAURKBINCENPPIM1
SCHEMBL30977165 0.79 KMO (0.59) AURKATTKAURKBINCENPGSK3B
SCHEMBL31702920 0.78 MKNK1 (0.55) AURKATTKAURKBINCENPPIM1
SCHEMBL28226106 0.77 CYP2A6 (0.53) AURKATTKAURKBINCENPCYP2A6
SCHEMBL6141487 0.74 DAO (0.48) MAOAMAOBDAO
SCHEMBL16653142 0.74 ALDH1A1 (0.64) AURKATTKAURKBINCENPCYP2A6
SCHEMBL16456321 0.74 AURKA (0.56) AURKATTKAURKBINCENPCYP2A6
SCHEMBL16455976 0.74 KIF11 (0.60) AURKATTKAURKBINCENPCYP2A6
SCHEMBL2101504 0.73 NUDT1 (0.49) AURKATTKAURKBINCENPCYP2A6

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-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed