SCHEMBL24967973

SCHEMBL24967973

CC(Cc1c[nH]c(=O)c(C(F)(F)F)c1)OC(=O)N1CCN(c2ncc(C3CC3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 18/20 0.40
MGLL Q99685 1/20 0.36
PARP1 P09874 1/20 0.35

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
SCHEMBL24967972 1.00 TIPARP (0.40) TIPARPMGLLPARP1
SCHEMBL24968223 0.91 TIPARP (0.42) TIPARPPARP1
SCHEMBL24968907 0.91 TIPARP (0.42) TIPARP
SCHEMBL24968304 0.91 TIPARP (0.42) TIPARP
SCHEMBL24968175 0.91 TIPARP (0.49) TIPARPPARP1
SCHEMBL24968176 0.91 TIPARP (0.49) TIPARPPARP1
SCHEMBL24968224 0.91 TIPARP (0.42) TIPARPPARP1
SCHEMBL24967937 0.91 TIPARP (0.49) TIPARPPARP1
SCHEMBL24968209 0.90 TIPARP (0.46) TIPARP
SCHEMBL24968876 0.90 TIPARP (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
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