SCHEMBL25309524

SCHEMBL25309524

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1C2CC1CN(c1ncc(C(F)(F)F)cn1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.48
▸ TIPARP Q7Z3E1 10/20 0.45
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL25309986 0.95 PARP1 (0.48) PARP1TIPARPMAPTPKMSMN1; SMN2
SCHEMBL25309586 0.86 PARP1 (0.46) PARP1TIPARPMAPTPKMSMN1; SMN2
SCHEMBL25309608 0.85 PARP1 (0.44) PARP1TIPARPMAPTPKMSMN1; SMN2
SCHEMBL25307526 0.85 PARP1 (0.42) PARP1TIPARP
SCHEMBL25309578 0.85 SPR (0.43) PARP1MAPTPKMSMN1; SMN2
SCHEMBL25309030 0.84 TIPARP (0.63) PARP1TIPARP
SCHEMBL25308646 0.83 PARP1 (0.42) PARP1TIPARPSMN1; SMN2
SCHEMBL25309989 0.83 PARP1 (0.46) PARP1TIPARPMAPTSMN1; SMN2
SCHEMBL25311716 0.83 PARP1 (0.42) PARP1TIPARPSMN1; SMN2
SCHEMBL30510760 0.83 PARP1 (0.44) PARP1TIPARPMAPTPKMSMN1; 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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