SCHEMBL25309465

SCHEMBL25309465

Cc1cc(N2CCN(C(=O)CCCc3n[nH]c(=O)c4ccccc34)CC2)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ PARP1 P09874 11/20 0.45
▸ SMO Q99835 6/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL30510766 1.00 TNKS (0.49) TNKSKMT2APARP1SMOLMNA
SCHEMBL25263299 0.86 TNKS (0.53) TNKSKMT2APARP1LMNAMAPK1
SCHEMBL30510758 0.85 KMT2A (0.47) TNKSKMT2APARP1LMNAMAPK1
SCHEMBL25310750 0.82 ROCK2 (0.50) TNKSKMT2APARP1LMNAMAPK1
SCHEMBL25308938 0.82 TNKS (0.57) TNKSKMT2APARP1MAPK1
SCHEMBL25310532 0.80 PARP1 (0.62) TNKSPARP1
SCHEMBL30510778 0.80 TNKS (0.49) TNKSKMT2APARP1
SCHEMBL25308789 0.80 TNKS (0.51) TNKSKMT2APARP1SMOLMNA
SCHEMBL25310056 0.80 TNKS (0.49) TNKSKMT2APARP1
SCHEMBL25310638 0.80 ROCK2 (0.61) TNKSKMT2APARP1MAPK1HTT

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 1 patent. 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 disclosed
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