SCHEMBL29313428

SCHEMBL29313428

CN(C(=O)Oc1c(/C(C=N)=C/NCCOC2CCCC2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.36
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32

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
SCHEMBL29313342 0.98 POLQ (0.36) POLQTACR2TACR1
SCHEMBL29313340 0.97 POLQ (0.39) POLQTACR1
SCHEMBL29313389 0.93 POLQ (0.34) POLQTACR2TACR1
SCHEMBL29313434 0.92 POLQ (0.33) POLQ
SCHEMBL29313426 0.92 POLQ (0.35) POLQ
SCHEMBL29313430 0.91 POLQ (0.36) POLQTACR1
SCHEMBL29313392 0.91 POLQ (0.35) POLQ
SCHEMBL29313429 0.91 POLQ (0.34) POLQTACR2TACR1
SCHEMBL29313394 0.91 POLQ (0.35) POLQ
SCHEMBL29313432 0.90 POLQ (0.35) POLQTACR1

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