SCHEMBL29313441

SCHEMBL29313441

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

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.41
LIPE Q05469 5/20 0.32
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL29313507 0.88 POLQ (0.39) POLQLIPETLR7
SCHEMBL29313330 0.86 POLQ (0.39) POLQLIPE
SCHEMBL29313294 0.86 POLQ (0.39) POLQLIPE
SCHEMBL29313262 0.86 POLQ (0.41) POLQLIPETLR7
SCHEMBL29313298 0.86 POLQ (0.43) POLQLIPETLR7
SCHEMBL29313482 0.86 POLQ (0.39) POLQLIPE
SCHEMBL29313263 0.85 POLQ (0.40) POLQLIPE
SCHEMBL29313436 0.85 POLQ (0.40) POLQLIPE
SCHEMBL29313435 0.85 POLQ (0.40) POLQLIPE
SCHEMBL29313572 0.85 POLQ (0.39) POLQLIPETLR7

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