SCHEMBL15258689

SCHEMBL15258689

Cn1ccnc1[C@@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
PARP2 Q9UGN5 15/20 1.00
PARP3 Q9Y6F1 15/20 1.00
TNKS O95271 2/20 0.74
PARP10 Q53GL7 2/20 0.74
PARP16 Q8N5Y8 2/20 0.74
PARP4 Q9UKK3 2/20 0.74
PARP15 Q460N3 1/20 0.74
PARP14 Q460N5 1/20 0.74
TNKS2 Q9H2K2 1/20 0.74
PARP8 Q8N3A8 1/20 0.74
PARP11 Q9NR21 1/20 0.74

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
SCHEMBL2313059 1.00 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2053606 1.00 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2052528 1.00 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2313691 0.94 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2311588 0.94 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2311485 0.94 PARP1 (1.00) PARP1PARP2PARP3TNKSPARP10
SCHEMBL19547613 0.93 PARP1 (0.86) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2311053 0.93 PARP1 (0.86) PARP1PARP2PARP3TNKSPARP10
SCHEMBL16940933 0.90 PARP1 (0.81) PARP1PARP2PARP3TNKSPARP10
SCHEMBL2314364 0.89 PARP1 (1.00) PARP1PARP2PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541403-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) for use in treatment of diseases associated with a PTEN deficiency BIOMARIN PHARMACEUTICAL INC. (US) 2013-09-24 US claimed