SCHEMBL26313890

SCHEMBL26313890

CNC(=O)c1ncc(N2CCN(Cc3cc4c(cn3)O[C@H](C3CC3)C(=O)N4)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.46
PARP2 Q9UGN5 6/20 0.46
PARP6 Q2NL67 4/20 0.43
PARP3 Q9Y6F1 4/20 0.43
TIPARP Q7Z3E1 1/20 0.37
KCNH2 Q12809 2/20 0.37
TNKS O95271 1/20 0.37

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
SCHEMBL26313892 1.00 PARP1 (0.46) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26309204 1.00 PARP1 (0.46) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26309191 0.89 PARP1 (0.57) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26313739 0.89 PARP1 (0.57) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26313737 0.89 PARP1 (0.57) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26309209 0.88 PARP1 (0.39) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL26313898 0.88 PARP1 (0.39) PARP1PARP2PARP6PARP3KCNH2
SCHEMBL26309198 0.87 PARP1 (0.49) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26313750 0.87 PARP1 (0.49) PARP1PARP2PARP6PARP3TIPARP
SCHEMBL26313754 0.87 PARP1 (0.49) PARP1PARP2PARP6PARP3TIPARP

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-2023178035-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-09-21 WO disclosed