SCHEMBL29314044

SCHEMBL29314044

CN(C(=O)Oc1c(-c2cnco2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLQ O75417 4/20 0.42
IMPDH2 P12268 3/20 0.39
IMPDH1 P20839 2/20 0.39
AAK1 Q2M2I8 1/20 0.37
LIPE Q05469 6/20 0.37
GPBAR1 Q8TDU6 6/20 0.34

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
SCHEMBL29314067 0.84 POLQ (0.43) POLQLIPE
SCHEMBL29314040 0.83 POLQ (0.36) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314053 0.83 IMPDH2 (0.36) IMPDH2IMPDH1AAK1GPBAR1
SCHEMBL29314063 0.82 POLQ (0.39) POLQIMPDH2IMPDH1LIPEGPBAR1
SCHEMBL29314055 0.82 IMPDH2 (0.35) IMPDH2IMPDH1LIPEGPBAR1
SCHEMBL29314047 0.82 LIPE (0.36) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314064 0.81 POLQ (0.38) POLQIMPDH2IMPDH1LIPEGPBAR1
SCHEMBL29314049 0.80 POLQ (0.34) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314384 0.79 POLQ (0.52) POLQLIPE
SCHEMBL30847596 0.77 POLQ (0.50) POLQLIPEGPBAR1

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