SCHEMBL29313384

SCHEMBL29313384

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.38
LIPE Q05469 2/20 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
SCHEMBL29313344 0.93 POLQ (0.37) POLQLIPE
SCHEMBL29313334 0.91 POLQ (0.39) POLQLIPE
SCHEMBL29313380 0.91 POLQ (0.36) POLQ
SCHEMBL29313390 0.90 POLQ (0.40) POLQLIPE
SCHEMBL29313262 0.89 POLQ (0.41) POLQLIPE
SCHEMBL29313343 0.89 POLQ (0.38) POLQLIPE
SCHEMBL29313381 0.89 POLQ (0.35) POLQ
SCHEMBL29313436 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313435 0.89 POLQ (0.40) POLQLIPE
SCHEMBL29313439 0.88 POLQ (0.39) POLQLIPE

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