SCHEMBL28079664

SCHEMBL28079664

O=C(c1cc(Cc2nncc3ccccc23)ccc1F)N1CC(CN2CCCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.54
PARP2 Q9UGN5 2/20 0.47
TNKS O95271 1/20 0.46
ADORA1 P30542 1/20 0.46
CDK6 Q00534 1/20 0.46
PDE3A Q14432 1/20 0.46
PARP6 Q2NL67 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TIPARP Q7Z3E1 1/20 0.46
PARP8 Q8N3A8 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP12 Q9H0J9 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
PRAP1 Q96NZ9 1/20 0.44

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
SCHEMBL28316956 0.99 PARP1 (0.55) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28876141 0.97 PARP1 (0.57) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28315540 0.89 PARP1 (0.56) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28315536 0.88 PARP1 (0.53) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28316946 0.87 PARP1 (0.51) PARP1PARP2TNKSADORA1CDK6
SCHEMBL15846924 0.87 PARP1 (0.56) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28316958 0.87 PARP1 (0.51) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28316128 0.85 PARP1 (0.51) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28315479 0.85 PARP1 (0.50) PARP1PARP2TNKSADORA1CDK6
SCHEMBL28316400 0.84 PARP1 (0.56) PARP1PARP2TNKSADORA1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793248-B Phthalazinone derivatives and process for preparing the same 日东制药株式会社 2019-08-16 CN claimed
CN-105793248-B Phthalazinone derivatives and process for preparing the same 日东制药株式会社 2019-08-16 CN disclosed
CN-105793248-A Novel phthalazinone derivatives and process for preparing the same 日东制药株式会社 2016-07-20 CN disclosed