SCHEMBL26314501

SCHEMBL26314501

CC[C@H]1Oc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4F)CC3)c(F)c2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.56
PARP2 Q9UGN5 14/20 0.56
PARP6 Q2NL67 9/20 0.56
PARP3 Q9Y6F1 8/20 0.56
TNKS O95271 3/20 0.54
KCNH2 Q12809 2/20 0.49

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
SCHEMBL26309831 1.00 PARP1 (0.56) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314502 1.00 PARP1 (0.56) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309835 0.93 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314609 0.93 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314611 0.93 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309931 0.89 PARP1 (0.55) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314627 0.89 PARP1 (0.55) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314628 0.89 PARP1 (0.55) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309948 0.88 PARP1 (0.42) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314905 0.88 PARP1 (0.42) 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