SCHEMBL25307126

SCHEMBL25307126

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc(C(F)F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ PARP1 P09874 12/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ TIPARP Q7Z3E1 4/20 0.47
▸ TNKS O95271 2/20 0.46
▸ PARP2 Q9UGN5 1/20 0.43
▸ TSHR P16473 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
SCHEMBL25311711 0.91 KMT2A (0.48) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25309242 0.90 PARP1 (0.52) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25310192 0.88 PARP1 (0.46) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25310750 0.88 ROCK2 (0.50) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25310638 0.87 ROCK2 (0.61) KMT2APARP1ROCK2ROCK1TNKS
SCHEMBL25309030 0.87 TIPARP (0.63) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25310803 0.85 PARP1 (0.61) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25307742 0.85 TIPARP (0.51) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25309796 0.84 TIPARP (0.67) KMT2APARP1ROCK2ROCK1TIPARP
SCHEMBL25311716 0.84 PARP1 (0.42) KMT2APARP1ROCK2ROCK1TIPARP

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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