SCHEMBL30510767

SCHEMBL30510767

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ncc3cc[nH]c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 13/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TNKS O95271 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.43
▸ TIPARP Q7Z3E1 3/20 0.42
▸ PIK3CA P42336 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL25313232 0.89 PARP1 (0.46) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25309540 0.85 JAK1 (0.37) PARP1KMT2ATNKSPARP2
SCHEMBL25309242 0.83 PARP1 (0.52) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25310750 0.83 ROCK2 (0.50) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25310638 0.83 ROCK2 (0.61) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL30510758 0.82 KMT2A (0.47) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25310803 0.81 PARP1 (0.61) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25309030 0.81 TIPARP (0.63) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25311711 0.81 KMT2A (0.48) PARP1KMT2ATNKSROCK2ROCK1
SCHEMBL25307126 0.81 KMT2A (0.48) PARP1KMT2ATNKSROCK2ROCK1

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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