SCHEMBL29314374

SCHEMBL29314374

CN(C(=O)Oc1c(C#C[Si](C)(C)C)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLQ O75417 12/20 0.44
LIPE Q05469 7/20 0.36
GPBAR1 Q8TDU6 1/20 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
SCHEMBL31009186 1.00 POLQ (0.44) POLQLIPEGPBAR1
SCHEMBL29314375 0.85 POLQ (0.47) POLQLIPEGPBAR1
SCHEMBL29314395 0.85 POLQ (0.43) POLQLIPE
SCHEMBL29314384 0.81 POLQ (0.52) POLQLIPE
SCHEMBL30847596 0.79 POLQ (0.50) POLQLIPEGPBAR1
SCHEMBL29314388 0.79 POLQ (0.50) POLQLIPE
SCHEMBL29314044 0.75 POLQ (0.42) POLQLIPEGPBAR1
SCHEMBL29314067 0.75 POLQ (0.43) POLQLIPE
SCHEMBL29314065 0.73 POLQ (0.44) POLQLIPEGPBAR1
SCHEMBL29313937 0.73 POLQ (0.42) POLQLIPEGPBAR1

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