SCHEMBL25310532

SCHEMBL25310532

N#Cc1ccc(N2CCN(C(=O)CCCc3n[nH]c(=O)c4ccccc34)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 18/20 0.62
▸ PARP2 Q9UGN5 8/20 0.62
▸ TNKS O95271 1/20 0.51
▸ TIPARP Q7Z3E1 1/20 0.48

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
SCHEMBL25310803 0.89 PARP1 (0.61) PARP1PARP2TNKSTIPARP
SCHEMBL25263299 0.86 TNKS (0.53) PARP1PARP2TNKSTIPARP
SCHEMBL25310671 0.84 CHRM1 (0.49) PARP1PARP2TNKSTIPARP
SCHEMBL30510764 0.84 CHRM1 (0.49) PARP1PARP2TNKSTIPARP
SCHEMBL25308789 0.84 TNKS (0.51) PARP1TNKSTIPARP
SCHEMBL25308938 0.82 TNKS (0.57) PARP1PARP2TNKS
SCHEMBL30510770 0.82 TNKS (0.51) PARP1PARP2TNKS
SCHEMBL30510772 0.82 TNKS (0.51) PARP1PARP2TNKS
SCHEMBL25309465 0.80 TNKS (0.49) PARP1TNKS
SCHEMBL25310056 0.80 TNKS (0.49) PARP1PARP2TNKSTIPARP

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
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO claimed
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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