SCHEMBL25010037

SCHEMBL25010037

CNc1cn[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 19/20 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
PARP1 P09874 1/20 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
TRPC5 Q9UL62 1/20 0.39
TNKS O95271 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL30196255 0.81 TIPARP (0.46) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL28982935 0.81 TIPARP (0.41) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24954404 0.80 TIPARP (0.52) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL30549266 0.79 TIPARP (0.43) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL25908259 0.77 TIPARP (0.49) TIPARPPARP1
SCHEMBL28982872 0.77 TIPARP (0.43) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL30549279 0.77 TIPARP (0.43) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24640950 0.76 TIPARP (0.47) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL24962326 0.76 TIPARP (0.49) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL23336002 0.76 TIPARP (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023011629-A1 PYRROLIDONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-02-09 WO disclosed