SCHEMBL25309504

SCHEMBL25309504

O=C(OCCCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.58
▸ TIPARP Q7Z3E1 9/20 0.51
▸ TNKS O95271 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL25309796 0.87 TIPARP (0.67) PARP1TIPARP
SCHEMBL25309030 0.86 TIPARP (0.63) PARP1TIPARPTNKS
SCHEMBL27434769 0.85 TIPARP (0.53) PARP1TIPARP
SCHEMBL25309853 0.84 PARP1 (0.64) PARP1TIPARPSMN1; SMN2
SCHEMBL25309636 0.83 TIPARP (0.59) PARP1TIPARPTNKS
SCHEMBL25310576 0.81 PARP1 (0.59) PARP1TIPARP
SCHEMBL25262512 0.80 PARP1 (0.61) PARP1TIPARPTNKS
SCHEMBL25309752 0.80 PARP1 (0.59) PARP1TIPARP
SCHEMBL25227713 0.79 TIPARP (0.74) PARP1TIPARPHPGDSMN1; SMN2
SCHEMBL25697510 0.78 TIPARP (0.60) PARP1TIPARPHPGDSMN1; SMN2

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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