SCHEMBL29313500

SCHEMBL29313500

CN(C(=O)Oc1c(/C(C=N)=C/NC2CCC(O)CC2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.36
TACR1 P25103 4/20 0.32
TACR2 P21452 2/20 0.32
TACR3 P29371 1/20 0.32
LIPE Q05469 3/20 0.30
SLC6A4 P31645 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
SCHEMBL29313440 0.91 POLQ (0.37) POLQLIPE
SCHEMBL29313554 0.89 POLQ (0.36) POLQTACR1TACR2LIPE
SCHEMBL29313553 0.88 NPY5R (0.39) POLQTACR1TACR2TACR3
SCHEMBL29313495 0.87 KCNH2 (0.36) POLQ
SCHEMBL29313399 0.86 POLQ (0.34) POLQTACR1TACR2TACR3
SCHEMBL29313484 0.85 POLQ (0.35) POLQ
SCHEMBL29313487 0.83 POLQ (0.35) POLQ
SCHEMBL29313572 0.82 POLQ (0.39) POLQLIPE
SCHEMBL29313262 0.82 POLQ (0.41) POLQTACR1LIPE
SCHEMBL29313507 0.82 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