SCHEMBL29313328

SCHEMBL29313328

CN/C=C(/C#CCN/C=C(\C=N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1OC(=O)N(C)c1ccc(F)cc1)C=N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.36
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
NR1H3 Q13133 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29313327 0.93 POLQ (0.37) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313330 0.89 POLQ (0.39) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313263 0.86 POLQ (0.40) POLQ
SCHEMBL29313294 0.86 POLQ (0.39) POLQ
SCHEMBL29313293 0.85 POLQ (0.37) POLQ
SCHEMBL29313435 0.85 POLQ (0.40) POLQ
SCHEMBL29313298 0.84 POLQ (0.43) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313262 0.84 POLQ (0.41) POLQGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL29313338 0.84 POLQ (0.35) POLQ
SCHEMBL29313436 0.83 POLQ (0.40) POLQGAAMAPK1NR1H3SMN1; SMN2

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