SCHEMBL15068064

SCHEMBL15068064

O=c1[nH]nc2c3c(cccc13)NC1=C2CCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.40
PARP2 Q9UGN5 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP3 Q9Y6F1 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL15067691 0.97 PARP1 (0.40) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL15084448 0.96 PARP1 (0.39) PARP1PARP2TNKSTNKS2PARP3
Hydrochloric Acid SCHEMBL17704119 0.82 PARP1 (0.40) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL15069522 0.81 PARP1 (0.39) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL18686101 0.80 PARP1 (0.47) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL24317868 0.76 ATM (0.47) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL30530525 0.76 ATM (0.47) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL15084461 0.76 PARP1 (0.43) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL15084477 0.75 CREBBP (0.38) PARP1KMT2A
SCHEMBL15084459 0.75 PARP1 (0.57) PARP1PARP2TNKSTNKS2PARP3

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