SCHEMBL29313399

SCHEMBL29313399

CN(C(=O)Oc1c(/C(C=N)=C/NC2CCOC(CO)C2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.34
TACR1 P25103 2/20 0.31
TACR2 P21452 1/20 0.31
TACR3 P29371 1/20 0.31

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
SCHEMBL29313500 0.86 POLQ (0.36) POLQTACR1TACR2TACR3
SCHEMBL29313440 0.85 POLQ (0.37) POLQ
SCHEMBL29313554 0.83 POLQ (0.36) POLQTACR1TACR2
SCHEMBL29313495 0.83 KCNH2 (0.36) POLQ
SCHEMBL29313568 0.82 POLQ (0.35) POLQ
SCHEMBL29313553 0.81 NPY5R (0.39) POLQTACR1TACR2TACR3
SCHEMBL29313404 0.81 POLQ (0.33) POLQ
SCHEMBL29313484 0.80 POLQ (0.35) POLQ
SCHEMBL29313441 0.80 POLQ (0.41) POLQ
SCHEMBL29313482 0.79 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