SCHEMBL2764624

SCHEMBL2764624

CN(C)CCN(C)C(=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.75

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
SCHEMBL13941832 0.87 PARP1 (0.83) PARP1
SCHEMBL2763674 0.86 PARP1 (0.85) PARP1
SCHEMBL5130051 0.86 PARP1 (1.00) PARP1
SCHEMBL5125923 0.86 PARP1 (1.00) PARP1
SCHEMBL5131208 0.84 PARP1 (1.00) PARP1
SCHEMBL2763327 0.84 PARP1 (0.77) PARP1
SCHEMBL5131145 0.84 PARP1 (1.00) PARP1
SCHEMBL5121251 0.83 PARP1 (1.00) PARP1
SCHEMBL5125334 0.83 PARP1 (1.00) PARP1
SCHEMBL4206310 0.83 PARP1 (0.78) 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
EP-2176237-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009004356-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 ASTRAZENECA AB (SE) 2009-01-08 WO disclosed