SCHEMBL25263299

SCHEMBL25263299

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.53
▸ ME2 P23368 2/20 0.48
▸ ME1 P48163 2/20 0.48
▸ ME3 Q16798 2/20 0.48
▸ PARP1 P09874 11/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ PARP2 Q9UGN5 2/20 0.45
▸ TIPARP Q7Z3E1 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 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
SCHEMBL25310750 0.89 ROCK2 (0.50) TNKSPARP1KMT2APARP2TIPARP
SCHEMBL25309465 0.86 TNKS (0.49) TNKSPARP1KMT2ALMNAMAPK1
SCHEMBL30510766 0.86 TNKS (0.49) TNKSPARP1KMT2ALMNAMAPK1
SCHEMBL25310532 0.86 PARP1 (0.62) TNKSPARP1PARP2TIPARP
SCHEMBL25308789 0.86 TNKS (0.51) TNKSPARP1KMT2ACHRM1TIPARP
SCHEMBL25307742 0.86 TIPARP (0.51) TNKSPARP1KMT2ATIPARPLMNA
SCHEMBL25308938 0.85 TNKS (0.57) TNKSPARP1KMT2ACHRM1PARP2
SCHEMBL30510772 0.84 TNKS (0.51) TNKSME2ME1ME3PARP1
SCHEMBL30510770 0.84 TNKS (0.51) TNKSME2ME1ME3PARP1
SCHEMBL25307141 0.84 HTR1A (0.43) TNKSPARP1CHRM1LMNA

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
Send feedback