SCHEMBL30437077

SCHEMBL30437077

Cc1ccc(N[C@@H]2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.70
▸ TNKS O95271 2/20 0.70
▸ TNKS2 Q9H2K2 2/20 0.70
▸ PRAP1 Q96NZ9 1/20 0.68
▸ PARP2 Q9UGN5 2/20 0.67
▸ ADORA1 P30542 1/20 0.67
▸ CDK6 Q00534 1/20 0.67
▸ PDE3A Q14432 1/20 0.67
▸ PARP6 Q2NL67 1/20 0.67
▸ PARP15 Q460N3 1/20 0.67
▸ PARP14 Q460N5 1/20 0.67
▸ PARP10 Q53GL7 1/20 0.67
▸ TIPARP Q7Z3E1 1/20 0.67
▸ PARP8 Q8N3A8 1/20 0.67
▸ PARP16 Q8N5Y8 1/20 0.67
▸ PARP12 Q9H0J9 1/20 0.67
▸ PARP11 Q9NR21 1/20 0.67
▸ PARP4 Q9UKK3 1/20 0.67
▸ PARP3 Q9Y6F1 1/20 0.67

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
SCHEMBL16571959 1.00 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL16571957 1.00 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL30436970 0.94 PARP1 (0.72) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL16571583 0.94 PARP1 (0.72) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL16571582 0.94 PARP1 (0.72) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL17961765 0.89 PARP1 (0.72) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL16571459 0.88 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL30437049 0.88 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL30437307 0.88 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2
SCHEMBL16571466 0.88 PARP1 (0.70) PARP1TNKSTNKS2PRAP1PARP2

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
EP-3030557-B1 A NOVEL PHTALAZINONE DERIVATIVES AND MANUFACTURING PROCESS THEREOF IDIENCE CO LTD (KR) 2023-05-31 — — EP disclosed
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