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SCHEMBL24968936

SCHEMBL24968936

COc1ncc(C2CCCC2OCCC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 20/20 0.47
▸ PARP1 P09874 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ PARP16 Q8N5Y8 1/20 0.40
▸ PARP12 Q9H0J9 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PARP4 Q9UKK3 1/20 0.40
▸ PARP3 Q9Y6F1 1/20 0.40

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
SCHEMBL27233713 1.00 TIPARP (0.47) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL24968387 0.92 TIPARP (0.47) TIPARP
SCHEMBL24968935 0.85 TIPARP (0.54) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL27233815 0.85 TIPARP (0.54) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL24968339 0.85 TIPARP (0.54) TIPARPPARP1CYP2C9PARP14PARP16
SCHEMBL24968216 0.82 TIPARP (0.45) TIPARP
SCHEMBL24968338 0.81 PIK3CD (0.35) —
SCHEMBL27233855 0.81 PIK3CD (0.35) —
SCHEMBL24968934 0.81 PIK3CD (0.35) —
SCHEMBL24968342 0.81 HCRTR1 (0.36) 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