SCHEMBL26310799

SCHEMBL26310799

CCC1Oc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2NC1=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.65
PARP2 Q9UGN5 16/20 0.65
PARP6 Q2NL67 14/20 0.65
PARP3 Q9Y6F1 13/20 0.65
TNKS O95271 5/20 0.52
KCNH2 Q12809 1/20 0.46

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
SCHEMBL26310788 0.91 PARP1 (0.63) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310798 0.90 PARP1 (0.63) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310791 0.89 PARP1 (0.63) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310786 0.84 PARP1 (0.61) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310804 0.79 PARP1 (0.60) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309552 0.79 PARP1 (0.60) PARP1PARP2PARP6PARP3TNKS
SCHEMBL22912834 0.79 PARP1 (1.00) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314398 0.79 PARP1 (0.60) PARP1PARP2PARP6PARP3TNKS
SCHEMBL29396712 0.79 PARP1 (1.00) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314396 0.79 PARP1 (0.60) PARP1PARP2PARP6PARP3TNKS

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