SCHEMBL24640489

SCHEMBL24640489

COCC(CO)Nc1cn[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 20/20 0.52
PARP2 Q9UGN5 2/20 0.45
PARP1 P09874 1/20 0.45
CYP2C9 P11712 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP12 Q9H0J9 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
HDAC6 Q9UBN7 6/20 0.43
HDAC1 Q13547 5/20 0.43

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
SCHEMBL24640478 1.00 TIPARP (0.52) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL24640491 1.00 TIPARP (0.52) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL21521362 0.87 TIPARP (0.50) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL21521363 0.87 TIPARP (0.50) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL24640899 0.86 TIPARP (0.44) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL21521982 0.84 TIPARP (0.49) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL23296917 0.84 TIPARP (0.52) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL23296919 0.84 TIPARP (0.52) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL24687628 0.84 TIPARP (0.55) TIPARPPARP2PARP1CYP2C9PARP14
SCHEMBL21520702 0.83 TIPARP (0.53) TIPARPPARP2PARP1CYP2C9PARP14

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-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed