SCHEMBL29313712

SCHEMBL29313712

CN(C(=O)Oc1c(-n2ccn(C3CCNC3=O)c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.35
TACR1 P25103 3/20 0.33
TACR2 P21452 1/20 0.33
SLC6A4 P31645 1/20 0.31
SLC5A1 P13866 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
SCHEMBL29313696 0.92 POLQ (0.36) POLQTACR1SLC5A1
SCHEMBL29313746 0.89 POLQ (0.35) POLQ
SCHEMBL29313703 0.87 TACR1 (0.39) POLQTACR1TACR2SLC6A4
SCHEMBL29313708 0.86 POLQ (0.38) POLQTACR1TACR2SLC6A4
SCHEMBL29313711 0.86 TACR1 (0.36) POLQTACR1SLC6A4
SCHEMBL29313743 0.84 POLQ (0.35) POLQ
SCHEMBL29313707 0.83 TACR1 (0.39) POLQTACR1TACR2
SCHEMBL29313695 0.81 POLQ (0.37) POLQ
SCHEMBL29313670 0.81 POLQ (0.35) POLQTACR1TACR2
SCHEMBL30847728 0.78 POLQ (0.42) POLQTACR1TACR2SLC6A4

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