SCHEMBL12828352

SCHEMBL12828352

O=C1NC=CC2CNc3cccc1c32

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.36
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
PDE7A Q13946 1/20 0.31
PDE7B Q9NP56 1/20 0.31

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
SCHEMBL12828765 0.70 PARP1 (0.38) PARP1
SCHEMBL5138055 0.67 PARP1 (0.43) PARP1
SCHEMBL12828304 0.62 PARP3 (0.42) PARP1
SCHEMBL12828175 0.62 PARP3 (0.45) PARP1
SCHEMBL168935 0.62 PDGFRA (0.52) PBRM1PDE7APDE7B
SCHEMBL25138054 0.61 PARP1 (0.41) PARP1SMARCA2SMARCA4PBRM1
SCHEMBL9790400 0.61 MAPT (0.39) PARP1
SCHEMBL4491151 0.61
SCHEMBL14494611 0.61 CCKBR (0.40) PARP1
SCHEMBL14085127 0.60 PARP1 (0.33) 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 2 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-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