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SCHEMBL4768326

SCHEMBL4768326

NC(=O)c1cc(F)cc2cn(-c3ccc(CCC4CCCN(OC(=O)C(F)(F)F)C4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.51
▸ PARP2 Q9UGN5 5/20 0.41
▸ PARP3 Q9Y6F1 5/20 0.41

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
SCHEMBL4764774 0.86 PARP1 (0.55) PARP1
SCHEMBL1422149 0.85 PARP1 (0.50) PARP1PARP2PARP3
SCHEMBL4767901 0.80 PARP1 (0.43) PARP1PARP2
SCHEMBL4764943 0.79 PARP1 (0.59) PARP1
SCHEMBL2264051 0.78 PARP1 (0.51) PARP1PARP2PARP3
SCHEMBL4765052 0.78 PARP1 (0.60) PARP1PARP2PARP3
SCHEMBL2262723 0.78 PARP1 (0.42) PARP1PARP2
SCHEMBL4769503 0.78 PARP1 (0.42) PARP1PARP2
SCHEMBL4768295 0.77 PARP1 (0.57) PARP1PARP2PARP3
SCHEMBL2265824 0.76 PARP1 (0.74) 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-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 — — EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 — — WO disclosed