Sugi Predict

Sugi Predict / Compounds / SCHEMBL25912405

SCHEMBL25912405

SCHEMBL25912405

C[C@@H]1CCC[C@H](Nc2cn[nH]c(=O)c2C(F)(F)F)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 19/20 0.45
▸ 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
▸ PARP1 P09874 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
SCHEMBL25908259 0.84 TIPARP (0.49) TIPARPPARP1
SCHEMBL26184588 0.72 TIPARP (0.45) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31058388 0.71 TIPARP (0.40) TIPARP
SCHEMBL30196255 0.70 TIPARP (0.46) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL28982935 0.67 TIPARP (0.41) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL30549266 0.65 TIPARP (0.43) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL26298693 0.65 TIPARP (0.65) TIPARP
SCHEMBL30549256 0.65 TIPARP (0.40) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL30196262 0.64 TIPARP (0.62) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL31244772 0.64 TIPARP (0.55) 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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed