SCHEMBL25310750

SCHEMBL25310750

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ PARP1 P09874 12/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ TNKS O95271 2/20 0.48
▸ TIPARP Q7Z3E1 3/20 0.47
▸ PARP2 Q9UGN5 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL25307742 0.97 TIPARP (0.51) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25309218 0.94 ROCK2 (0.52) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25309242 0.90 PARP1 (0.52) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25310638 0.90 ROCK2 (0.61) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25263299 0.89 TNKS (0.53) PARP1KMT2ATNKSTIPARPPARP2
SCHEMBL25309030 0.88 TIPARP (0.63) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25310803 0.88 PARP1 (0.61) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25307126 0.88 KMT2A (0.48) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL25311711 0.88 KMT2A (0.48) ROCK2ROCK1PARP1KMT2ATNKS
SCHEMBL30510758 0.87 KMT2A (0.47) ROCK2ROCK1PARP1KMT2ATNKS

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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