SCHEMBL25309796

SCHEMBL25309796

O=C(CCCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 11/20 0.67
▸ PARP1 P09874 7/20 0.60
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ KMT2A Q03164 1/20 0.46

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 0.97 TIPARP (0.63) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25309636 0.94 TIPARP (0.59) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25308635 0.90 TIPARP (0.63) TIPARPPARP1ROCK2ROCK1
SCHEMBL25307742 0.88 TIPARP (0.51) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL30510774 0.87 TIPARP (0.53) TIPARPPARP1KMT2A
SCHEMBL25309242 0.87 PARP1 (0.52) TIPARPPARP1ROCK2ROCK1KMT2A
SCHEMBL25262834 0.87 TIPARP (0.62) TIPARPPARP1
SCHEMBL25309504 0.87 PARP1 (0.58) TIPARPPARP1
SCHEMBL25308756 0.87 TIPARP (0.62) TIPARPPARP1
SCHEMBL30510769 0.87 TIPARP (0.62) TIPARPPARP1

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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