SCHEMBL15069702

SCHEMBL15069702

CC(C)(C)OC(=O)N1CCC2=C(C1)Nc1cccc3c(=O)[nH]nc2c13

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.52
TNKS2 Q9H2K2 4/20 0.44
PARP2 Q9UGN5 1/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
MAPK1 P28482 1/20 0.41
CRBN Q96SW2 2/20 0.39
DDB1 Q16531 1/20 0.39
TNKS O95271 3/20 0.39
NR1H2 P55055 1/20 0.39
ESR2 Q92731 1/20 0.37

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
SCHEMBL15084458 0.83 PARP1 (0.44) PARP1TNKS2PARP2TNKS
SCHEMBL15069524 0.83 PARP1 (0.39) PARP1TNKS2PARP2TNKS
SCHEMBL15084462 0.82 PARP1 (0.44) PARP1TNKS2PARP2TNKS
SCHEMBL17704120 0.80 PARP1 (0.41) PARP1TNKS2PARP2TNKS
SCHEMBL15084457 0.78 PARP1 (0.52) PARP1TNKS2PARP2BRD4CREBBP
SCHEMBL15068064 0.72 PARP1 (0.40) PARP1TNKS2PARP2TNKS
SCHEMBL15084448 0.71 PARP1 (0.39) PARP1TNKS2PARP2TNKS
SCHEMBL15084450 0.71 PARP1 (0.39) PARP1TNKS2PARP2TNKS
SCHEMBL24000534 0.71 ROCK2 (0.56) NR1H2ESR2
SCHEMBL15084454 0.69 PARP1 (0.40) PARP1TNKS2PARP2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797919-B1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE LTD (KY) 2017-03-29 EP disclosed
EP-2797919-B1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE LTD (KY) 2017-03-29 EP disclosed
US-9328111-B2 Substituted cycloocta[5,6]pyrido[4,3,2-de]phthalazines as PARP inhibitors BEIGENE LTD. (KY) 2016-05-03 US disclosed
US-9328111-B2 Substituted cycloocta[5,6]pyrido[4,3,2-de]phthalazines as PARP inhibitors BEIGENE LTD. (KY) 2016-05-03 US disclosed
EP-2797919-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BeiGene, Ltd. (KY) 2014-11-05 EP disclosed
WO-2013097226-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed
WO-2013097226-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed