SCHEMBL7568427

SCHEMBL7568427

Nc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 19/20 1.00
TNKS2 Q9H2K2 19/20 1.00
PARP1 P09874 17/20 1.00
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PARP2 Q9UGN5 3/20 0.52

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
SCHEMBL7568904 0.88 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL1387200 0.87 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL15775321 0.86 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL167751 0.86 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL15775695 0.86 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL15775244 0.86 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL15775692 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL7569433 0.82 TNKS (0.73) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL7568265 0.82 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2
SCHEMBL1387251 0.81 TNKS (1.00) TNKSTNKS2PARP1KDM4ECYP1A2

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-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 EP claimed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
EP-0966476-B1 Quinazolinone compounds UNIV NEWCASTLE VENTURES LTD (GB) 2002-09-04 EP disclosed
EP-0966476-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1999-12-29 EP disclosed
WO-1998033802-A1 QUINAZOLINONE COMPOUNDS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 1998-08-06 WO disclosed