SCHEMBL24640899

SCHEMBL24640899

CC[C@@H](CO)Nc1cn[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 18/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PARP14 Q460N5 2/20 0.41
PARP12 Q9H0J9 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP11 Q9NR21 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
TNKS O95271 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP1 P09874 2/20 0.41
CYP2C9 P11712 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41

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 0.86 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640491 0.86 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640489 0.86 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL23336002 0.84 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640494 0.84 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640475 0.84 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640495 0.81 TIPARP (0.42) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24639938 0.80 TIPARP (0.51) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL21521181 0.80 TIPARP (0.51) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL21521178 0.80 TIPARP (0.51) TIPARPPARP14PARP12TNKS2PARP11

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