SCHEMBL25310262

SCHEMBL25310262

N#Cc1cnc(N2CC3CCC(C2)N3C(=O)CCCc2n[nH]c(=O)c3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.44
▸ CHRM1 P11229 2/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CHRM4 P08173 3/20 0.37
▸ TNKS O95271 1/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL30510764 0.90 CHRM1 (0.49) PARP1CHRM1TNKSPARP2
SCHEMBL25310671 0.90 CHRM1 (0.49) PARP1CHRM1TNKSPARP2
SCHEMBL25307526 0.89 PARP1 (0.42) PARP1TNKSPARP2LMNA
SCHEMBL25308646 0.89 PARP1 (0.42) PARP1TNKSPARP2LMNA
SCHEMBL25311716 0.86 PARP1 (0.42) PARP1TNKSPARP2LMNA
SCHEMBL25309986 0.86 PARP1 (0.48) PARP1CHRM4
SCHEMBL25309819 0.85 GPR119 (0.40) PARP1TNKSGPR119LMNA
SCHEMBL25309301 0.85 PARP1 (0.39) PARP1CHRM4
SCHEMBL25312147 0.85 PARP1 (0.39) PARP1TNKSPARP2LMNA
SCHEMBL30510776 0.85 PARP1 (0.39) PARP1TNKSPARP2LMNA

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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