SCHEMBL29313293

SCHEMBL29313293

CN(C(=O)Oc1c(/C(C=N)=C/NCC#CC2CC2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.37
TACR1 P25103 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
SCHEMBL29313338 0.93 POLQ (0.35) POLQ
SCHEMBL29313330 0.90 POLQ (0.39) POLQ
SCHEMBL29313263 0.87 POLQ (0.40) POLQ
SCHEMBL29313327 0.86 POLQ (0.37) POLQ
SCHEMBL29313328 0.85 POLQ (0.36) POLQ
SCHEMBL29313298 0.85 POLQ (0.43) POLQTACR1
SCHEMBL29313262 0.85 POLQ (0.41) POLQTACR1
SCHEMBL29313340 0.85 POLQ (0.39) POLQTACR1
SCHEMBL29313436 0.84 POLQ (0.40) POLQTACR1
SCHEMBL29313435 0.84 POLQ (0.40) 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