SCHEMBL30510758

SCHEMBL30510758

Cc1nc(N2CCN(C(=O)CCCc3n[nH]c(=O)c4ccccc34)CC2)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ TNKS O95271 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PARP1 P09874 14/20 0.43
▸ PARP2 Q9UGN5 2/20 0.43
▸ TIPARP Q7Z3E1 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 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
SCHEMBL25310750 0.87 ROCK2 (0.50) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL30510766 0.85 TNKS (0.49) KMT2ATNKSPARP1LMNAMAPK1
SCHEMBL25309465 0.85 TNKS (0.49) KMT2ATNKSPARP1LMNAMAPK1
SCHEMBL25307742 0.84 TIPARP (0.51) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL25313232 0.84 PARP1 (0.46) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL25309242 0.83 PARP1 (0.52) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL25310638 0.83 ROCK2 (0.61) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL25311711 0.83 KMT2A (0.48) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL30510767 0.82 PARP1 (0.45) KMT2ATNKSROCK2ROCK1PARP1
SCHEMBL25309218 0.81 ROCK2 (0.52) KMT2ATNKSROCK2ROCK1PARP1

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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