SCHEMBL31464932

SCHEMBL31464932

C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 9/20 0.57
▸ CNR2 P34972 1/20 0.45
▸ RET P07949 2/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ TIPARP Q7Z3E1 6/20 0.43
▸ ADK P55263 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
SCHEMBL30860086 1.00 PANK3 (0.57) PANK3CNR2RETPARP1PARP2
SCHEMBL31464986 1.00 PANK3 (0.57) PANK3CNR2RETPARP1PARP2
SCHEMBL30859837 1.00 PANK3 (0.57) PANK3CNR2RETPARP1PARP2
SCHEMBL30859867 0.82 PANK3 (0.59) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL31464968 0.82 PANK3 (0.59) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL31464996 0.82 PANK3 (0.59) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL30860102 0.82 PANK3 (0.59) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL31464955 0.81 PANK3 (0.59) PANK3CNR2RETPARP1PARP2
SCHEMBL30859861 0.81 PANK3 (0.59) PANK3CNR2RETPARP1PARP2
SCHEMBL3554489 0.81 PANK3 (0.63) PANK3CNR2RETADK

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
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 — — CN disclosed
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