SCHEMBL25309193

SCHEMBL25309193

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CC2(C1)CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.51
▸ TIPARP Q7Z3E1 6/20 0.49
▸ MAPT P10636 1/20 0.40

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
SCHEMBL25309030 0.88 TIPARP (0.63) PARP1TIPARP
SCHEMBL25309796 0.86 TIPARP (0.67) PARP1TIPARP
SCHEMBL25309636 0.85 TIPARP (0.59) PARP1TIPARP
SCHEMBL25309586 0.82 PARP1 (0.46) PARP1TIPARPMAPT
SCHEMBL25309989 0.82 PARP1 (0.46) PARP1TIPARPMAPT
SCHEMBL25309524 0.82 PARP1 (0.48) PARP1TIPARPMAPT
SCHEMBL25309986 0.82 PARP1 (0.48) PARP1TIPARPMAPT
SCHEMBL25308789 0.81 TNKS (0.51) PARP1TIPARPMAPT
SCHEMBL25310465 0.81 TIPARP (0.46) PARP1TIPARPMAPT
SCHEMBL30510769 0.78 TIPARP (0.62) PARP1TIPARP

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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