SCHEMBL30510778

SCHEMBL30510778

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2cnc(C(F)(F)F)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.49
▸ PARP1 P09874 14/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ TIPARP Q7Z3E1 2/20 0.44
▸ CHRM1 P11229 1/20 0.43
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL25310056 1.00 TNKS (0.49) TNKSPARP1PARP2KMT2ATIPARP
SCHEMBL25308789 0.88 TNKS (0.51) TNKSPARP1KMT2ATIPARPCHRM1
SCHEMBL30510761 0.86 TNKS (0.47) TNKSPARP1PARP2KMT2ATIPARP
SCHEMBL25309613 0.86 TNKS (0.47) TNKSPARP1PARP2KMT2ATIPARP
SCHEMBL25308938 0.86 TNKS (0.57) TNKSPARP1PARP2KMT2ACHRM1
SCHEMBL25309030 0.84 TIPARP (0.63) TNKSPARP1KMT2ATIPARP
SCHEMBL30510770 0.83 TNKS (0.51) TNKSPARP1PARP2KMT2ACHRM1
SCHEMBL25263299 0.83 TNKS (0.53) TNKSPARP1PARP2KMT2ATIPARP
SCHEMBL25309796 0.81 TIPARP (0.67) PARP1KMT2ATIPARP
SCHEMBL25309636 0.81 TIPARP (0.59) TNKSPARP1KMT2ATIPARP

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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