SCHEMBL25309503

SCHEMBL25309503

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CC2CCC(C1)N2c1ncc(Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 12/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TNKS O95271 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ PARP6 Q2NL67 1/20 0.38
▸ PARP15 Q460N3 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ TIPARP Q7Z3E1 1/20 0.38
▸ PARP8 Q8N3A8 1/20 0.38
▸ PARP16 Q8N5Y8 1/20 0.38
▸ PARP12 Q9H0J9 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ PARP4 Q9UKK3 1/20 0.38

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
SCHEMBL25309989 0.89 PARP1 (0.46) PARP1TNKSPARP2ADORA1CDK6
SCHEMBL25308646 0.85 PARP1 (0.42) PARP1BRD4LMNATNKSPARP2
SCHEMBL25309586 0.83 PARP1 (0.46) PARP1LMNATNKSPARP2TIPARP
SCHEMBL25310750 0.83 ROCK2 (0.50) PARP1LMNATNKSPARP2TIPARP
SCHEMBL25307742 0.80 TIPARP (0.51) PARP1LMNATNKSTIPARPHTT
SCHEMBL25310740 0.79 PARP1 (0.43) PARP1BRD4TNKSPARP2TDP1
SCHEMBL30510773 0.79 HTR1A (0.43) PARP1BRD4LMNATNKSTDP1
SCHEMBL25307141 0.79 HTR1A (0.43) PARP1BRD4LMNATNKSTDP1
Hydrochloric Acid SCHEMBL25308850 0.78 PARP1 (0.48) PARP1LMNATNKSPARP2ADORA1
SCHEMBL25309218 0.77 ROCK2 (0.52) PARP1LMNATNKSTDP1TIPARP

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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