SCHEMBL15084458

SCHEMBL15084458

CC1(C(=O)N2CCC3=C(C2)Nc2cccc4c(=O)[nH]nc3c24)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.44
ROCK2 O75116 3/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
NAMPT P43490 1/20 0.35
ROCK1 Q13464 1/20 0.34

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
SCHEMBL15084462 0.87 PARP1 (0.44) PARP1ROCK2TNKSTNKS2PARP2
SCHEMBL15069702 0.83 PARP1 (0.52) PARP1TNKSTNKS2PARP2
SCHEMBL18686101 0.81 PARP1 (0.47) PARP1TNKSTNKS2PARP2
SCHEMBL15069524 0.81 PARP1 (0.39) PARP1ROCK2TNKSTNKS2PARP2
SCHEMBL17704120 0.77 PARP1 (0.41) PARP1ROCK2TNKSTNKS2PARP2
SCHEMBL15084457 0.74 PARP1 (0.52) PARP1ROCK2TNKSTNKS2PARP2
SCHEMBL15084459 0.74 PARP1 (0.57) PARP1ROCK2TNKSTNKS2PARP2
SCHEMBL15068064 0.74 PARP1 (0.40) PARP1TNKSTNKS2PARP2
SCHEMBL15067691 0.74 PARP1 (0.40) PARP1TNKSTNKS2PARP2
SCHEMBL15069522 0.73 PARP1 (0.39) PARP1TNKSTNKS2PARP2

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 5 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
WO-2013097226-A1 FUSED TETRA OR PENTA-CYCLIC PYRIDOPHTHALAZINONES AS PARP INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO disclosed