SCHEMBL25310740

SCHEMBL25310740

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCC(Nc2ncc(Cl)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.43
▸ CDK2 P24941 4/20 0.42
▸ JUN P05412 3/20 0.42
▸ MAPK8 P45983 3/20 0.42
▸ MAPK9 P45984 3/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TNKS O95271 3/20 0.42
▸ PARP2 Q9UGN5 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PARP6 Q2NL67 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ TIPARP Q7Z3E1 1/20 0.41
▸ PARP8 Q8N3A8 1/20 0.41

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 0.84 ROCK2 (0.50) PARP1TNKSPARP2KMT2ATIPARP
SCHEMBL25309530 0.82 PARP1 (0.48) PARP1TNKSPARP2KMT2AESR1
SCHEMBL25307742 0.81 TIPARP (0.51) PARP1TNKSKMT2ATIPARPESR1
SCHEMBL25307211 0.81 PARP1 (0.56) PARP1TNKSPARP2KMT2AADORA1
SCHEMBL25263299 0.81 TNKS (0.53) PARP1TNKSPARP2KMT2ATIPARP
SCHEMBL25309503 0.79 PARP1 (0.40) PARP1BRD4TNKSPARP2TDP1
Hydrochloric Acid SCHEMBL25309956 0.79 PARP1 (0.48) PARP1TNKSPARP2KMT2A
SCHEMBL25309218 0.78 ROCK2 (0.52) PARP1TNKSTDP1KMT2ATIPARP
SCHEMBL30510784 0.77 PARP1 (0.48) PARP1TNKSPARP2KMT2ATNKS2
SCHEMBL25310638 0.76 ROCK2 (0.61) PARP1TNKSPARP2KMT2AESR1

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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