SCHEMBL8796306

SCHEMBL8796306

Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nnc(C3CC3)n12

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44

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
SCHEMBL8795330 0.76 NPC1 (0.43)
SCHEMBL7411619 0.72
SCHEMBL8795659 0.70
SCHEMBL8795166 0.65
SCHEMBL8795958 0.61 GRIN2D (0.45)
SCHEMBL4078284 0.61 PARP1 (1.00) PARP1
SCHEMBL12891155 0.60 RAB9A (0.61) PARP1
SCHEMBL123584 0.60 RAB9A (0.78) PARP1
SCHEMBL29372630 0.60 RAB9A (0.78) PARP1
SCHEMBL4045125 0.58 PSEN1 (0.42) 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-0752993-A1 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-01-15 EP disclosed
WO-1995026351-A1 1,2,4-TRIAZOLO[4,3-a]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-10-05 WO disclosed