SCHEMBL29314049

SCHEMBL29314049

C#Cc1c(C(F)(F)F)cc(C(F)(F)F)c(OC(=O)N(C)c2ccc(F)cc2)c1-c1cnco1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.34
IMPDH2 P12268 2/20 0.33
IMPDH1 P20839 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
LIPE Q05469 5/20 0.32
GPR119 Q8TDV5 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL29314040 0.88 POLQ (0.36) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314047 0.87 LIPE (0.36) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314044 0.80 POLQ (0.42) POLQIMPDH2IMPDH1AAK1LIPE
SCHEMBL29314375 0.72 POLQ (0.47) POLQLIPEMEN1KMT2A
SCHEMBL29313934 0.71 POLQ (0.34) POLQLIPEKMT2A
SCHEMBL29314384 0.68 POLQ (0.52) POLQLIPE
SCHEMBL30847644 0.68 POLQ (0.41) POLQLIPEMEN1KMT2A
SCHEMBL29314374 0.67 POLQ (0.44) POLQLIPE
SCHEMBL31009186 0.67 POLQ (0.44) POLQLIPE
SCHEMBL30847596 0.67 POLQ (0.50) POLQLIPEMEN1KMT2A

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