SCHEMBL24968216

SCHEMBL24968216

COc1ncc(C2CCCC2COCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 0.45
TSHR P16473 1/20 0.36

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
SCHEMBL24968387 0.87 TIPARP (0.47) TIPARPTSHR
SCHEMBL24968218 0.85 TIPARP (0.51) TIPARP
SCHEMBL27233713 0.82 TIPARP (0.47) TIPARP
SCHEMBL24968936 0.82 TIPARP (0.47) TIPARP
SCHEMBL24968215 0.81 FFAR1 (0.35)
SCHEMBL27233833 0.81 TIPARP (0.52) TIPARPTSHR
SCHEMBL30164988 0.81 TIPARP (0.52) TIPARPTSHR
SCHEMBL24968862 0.81 TIPARP (0.52) TIPARPTSHR
SCHEMBL31713224 0.75 TIPARP (0.42) TIPARP
SCHEMBL24968217 0.75 PIK3CD (0.35)

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