SCHEMBL25309636

SCHEMBL25309636

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 12/20 0.59
▸ PARP1 P09874 5/20 0.58
▸ ROCK2 O75116 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TNKS O95271 1/20 0.43

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 0.96 TIPARP (0.63) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25309796 0.94 TIPARP (0.67) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25309242 0.86 PARP1 (0.52) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25308900 0.86 TIPARP (0.59) TIPARPPARP1ROCK2ROCK1
SCHEMBL25262834 0.86 TIPARP (0.62) TIPARPPARP1
SCHEMBL30510769 0.86 TIPARP (0.62) TIPARPPARP1
SCHEMBL25308756 0.86 TIPARP (0.62) TIPARPPARP1
SCHEMBL25308789 0.86 TNKS (0.51) TIPARPPARP1KMT2ATNKS
SCHEMBL25309193 0.85 PARP1 (0.51) TIPARPPARP1
SCHEMBL25310750 0.85 ROCK2 (0.50) TIPARPPARP1ROCK2ROCK1KMT2A

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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