SCHEMBL29316884

SCHEMBL29316884

CN(C(=O)Oc1c(C#CN)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)c(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
GPBAR1 Q8TDU6 11/20 0.34
LIPE Q05469 3/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
P2RX1 P51575 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL30847686 0.83 POLQ (0.41) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL29316401 0.76 POLQ (0.30) POLQ
SCHEMBL30847616 0.76 GPBAR1 (0.36) POLQGPBAR1LIPECYP11B1CYP11B2
SCHEMBL29313945 0.76 POLQ (0.38) POLQGPBAR1LIPE
SCHEMBL29314063 0.76 POLQ (0.39) POLQGPBAR1LIPE
SCHEMBL29315472 0.76 POLQ (0.30) POLQ
SCHEMBL29315146 0.76 POLQ (0.32) POLQ
SCHEMBL29316015 0.75
SCHEMBL30847639 0.75 POLQ (0.41) POLQGPBAR1
SCHEMBL29315103 0.73 POLQ (0.37) POLQGPBAR1CYP11B1CYP11B2

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