SCHEMBL25311711

SCHEMBL25311711

CC(C)c1cnc(N2CCN(C(=O)CCCc3n[nH]c(=O)c4ccccc34)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ PARP1 P09874 10/20 0.47
▸ TNKS O95271 2/20 0.46
▸ TIPARP Q7Z3E1 5/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ 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
SCHEMBL25307126 0.91 KMT2A (0.48) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25309242 0.88 PARP1 (0.52) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25310750 0.88 ROCK2 (0.50) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25310638 0.87 ROCK2 (0.61) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25310803 0.85 PARP1 (0.61) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25309030 0.85 TIPARP (0.63) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25307742 0.85 TIPARP (0.51) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25310192 0.85 PARP1 (0.46) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL30510758 0.83 KMT2A (0.47) KMT2AROCK2ROCK1PARP1TNKS
SCHEMBL25309796 0.83 TIPARP (0.67) KMT2AROCK2ROCK1PARP1TIPARP

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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