SCHEMBL4603960

SCHEMBL4603960

Cc1cc(C(C)(c2ncccn2)C2CCNCC2)cc2c1C(=O)N(CC1CCCCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
BRD4 O60885 2/20 0.32
MAPK1 P28482 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1002272 0.75 PARP1 (0.38) PARP1PIK3CDPIK3CAPIK3CGBRD4
SCHEMBL1000891 0.74 PARP1 (0.45) PARP1PIK3CDPIK3CAPIK3CGBRD4
SCHEMBL5243321 0.73 PARP1 (0.39) PARP1PIK3CDPIK3CAPIK3CGMAPK1
SCHEMBL1002883 0.69 PARP1 (0.47) PARP1PIK3CDPIK3CAPIK3CGBRD4
SCHEMBL1005115 0.68 PARP1 (0.45) PARP1PIK3CDPIK3CAPIK3CGBRD4
SCHEMBL1002269 0.68 PARP1 (0.43) PARP1PIK3CDPIK3CAPIK3CGMAPK1
SCHEMBL1003205 0.66 PARP1 (0.39) PARP1PARP2
SCHEMBL1005065 0.66 PARP1 (0.37) PARP1PIK3CDPIK3CAPIK3CGPARP2
SCHEMBL1001401 0.66 ITGB3 (0.35) PARP1PARP2ITGB3ITGA2B
SCHEMBL1001568 0.64 PIK3CD (0.42) PARP1PIK3CDPIK3CAPIK3CGBRD4

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
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed