SCHEMBL24968415

SCHEMBL24968415

CC(OC[C@@H]1CCCN1c1c[nH]c(=O)c(C(F)(F)F)c1)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.52
PARP1 P09874 1/20 0.38
TNKS O95271 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP12 Q9H0J9 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL24968182 0.87 TIPARP (0.55) TIPARP
SCHEMBL24967929 0.87 TIPARP (0.55) TIPARP
SCHEMBL24967927 0.87 TIPARP (0.55) TIPARP
SCHEMBL24968362 0.85 TIPARP (0.60) TIPARP
SCHEMBL24968361 0.85 TIPARP (0.60) TIPARP
SCHEMBL24968363 0.85 TIPARP (0.60) TIPARP
SCHEMBL27233794 0.84 TIPARP (0.60) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL27233793 0.84 TIPARP (0.60) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL24968370 0.84 TIPARP (0.60) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL29165900 0.77 TIPARP (0.44) TIPARP

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-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed