SCHEMBL29313857

SCHEMBL29313857

CN(C(=O)Oc1c(C(F)(F)F)cc(C(F)(F)F)nc1-n1cc[nH]c1=S)c1cc(Cl)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.33

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
SCHEMBL29314311 0.90 GAA (0.30)
SCHEMBL29313863 0.85
SCHEMBL29313860 0.83 POLQ (0.34) POLQ
SCHEMBL29313859 0.82 GAA (0.31)
SCHEMBL29314318 0.79
SCHEMBL29314315 0.78
SCHEMBL29314313 0.76 NPSR1 (0.31)
SCHEMBL29314312 0.75
SCHEMBL29313928 0.72 POLQ (0.33) POLQ
SCHEMBL30847810 0.69 POLQ (0.39) POLQ

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