SCHEMBL29314170

SCHEMBL29314170

CCN(C(=O)Oc1c(/C(C=N)=C/N)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(C)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLQ O75417 1/20 0.30
KCNN4 O15554 1/20 0.30
MCOLN3 Q8TDD5 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
SCHEMBL29314183 0.87 GAA (0.30) GAANPSR1
SCHEMBL29314167 0.83 POLQ (0.37) GAANPSR1POLQ
SCHEMBL29314169 0.82 GAA (0.35) GAANPSR1POLQMCOLN3
SCHEMBL29314165 0.73 GAA (0.33) GAANPSR1POLQMCOLN3
SCHEMBL29314190 0.69
SCHEMBL29314172 0.69 POLQ (0.36) GAANPSR1POLQ
SCHEMBL29314181 0.68 GAA (0.33) GAANPSR1POLQMCOLN3
SCHEMBL29313507 0.67 POLQ (0.39) POLQ
SCHEMBL29314053 0.66 IMPDH2 (0.36)
SCHEMBL29313262 0.65 POLQ (0.41) GAAPOLQ

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