SCHEMBL6200038

SCHEMBL6200038

O=C1NCCn2c(-c3ccc(F)cc3)nc3cccc1c32

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.80

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
SCHEMBL12750589 0.89 PARP1 (0.74) PARP1
SCHEMBL12750571 0.89 PARP1 (1.00) PARP1
SCHEMBL831830 0.89 PARP1 (1.00) PARP1
SCHEMBL7552024 0.88 PARP1 (0.76) PARP1
SCHEMBL6199272 0.88 PARP1 (0.80) PARP1
SCHEMBL7158077 0.88 PARP1 (1.00) PARP1
SCHEMBL20570669 0.88 PARP1 (0.80) PARP1
SCHEMBL12750579 0.88 PARP1 (0.80) PARP1
SCHEMBL6203679 0.88 PARP1 (0.83) PARP1
SCHEMBL7162599 0.87 PARP1 (0.73) PARP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed