SCHEMBL630739

SCHEMBL630739

CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN(C2CCCCC2)CC1

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.98
PARP2 Q9UGN5 3/20 0.62

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
SCHEMBL630394 0.99 PARP1 (1.00) PARP1PARP2
SCHEMBL629937 0.95 PARP1 (0.92) PARP1PARP2
SCHEMBL631576 0.92 PARP1 (0.84) PARP1PARP2
SCHEMBL631127 0.91 PARP1 (0.85) PARP1PARP2
SCHEMBL630707 0.89 PARP1 (0.82) PARP1PARP2
SCHEMBL631441 0.88 PARP1 (0.76) PARP1PARP2
SCHEMBL631330 0.87 PARP1 (0.78) PARP1PARP2
SCHEMBL631602 0.85 PARP1 (0.74) PARP1PARP2
SCHEMBL630227 0.83 PARP1 (0.72) PARP1PARP2
SCHEMBL631245 0.82 PARP1 (0.85) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338487-B1 Combination therapy with PARP inhibitors ABBOTT LAB (US) 2013-09-11 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2338487-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-29 EP disclosed
EP-2329818-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-08 EP disclosed
CN-101370497-B Combination product with PARP inhibitors and cell toxin and its uses ABBOTT LAB 2010-11-17 CN disclosed