SCHEMBL29314065

SCHEMBL29314065

CN(C(=O)Oc1c(N(N)C=N)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.44
LIPE Q05469 8/20 0.36
TLR7 Q9NYK1 1/20 0.36
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL29314384 0.81 POLQ (0.52) POLQLIPETLR7LMNAHTT
SCHEMBL30847596 0.79 POLQ (0.50) POLQLIPETLR7LMNAHTT
SCHEMBL29314388 0.79 POLQ (0.50) POLQLIPETLR7LMNAHTT
SCHEMBL29314375 0.77 POLQ (0.47) POLQLIPETLR7LMNAHTT
SCHEMBL29313507 0.75 POLQ (0.39) POLQLIPETLR7
SCHEMBL31009186 0.73 POLQ (0.44) POLQLIPEGPBAR1
SCHEMBL29314374 0.73 POLQ (0.44) POLQLIPEGPBAR1
SCHEMBL29314395 0.73 POLQ (0.43) POLQLIPETLR7LMNANPSR1
SCHEMBL29314067 0.73 POLQ (0.43) POLQLIPETLR7
SCHEMBL29314066 0.73 POLQ (0.43) POLQLIPETLR7NPSR1

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-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed