SCHEMBL29313964

SCHEMBL29313964

Cc1nc(N(C)C(=O)Oc2c(C(F)(F)F)cc(C(F)(F)F)c(C#N)c2-c2nnco2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 12/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
GLA P06280 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
EIF4EBP1 Q13541 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
SCHEMBL29314053 0.69 IMPDH2 (0.36)
SCHEMBL29313930 0.68 GAA (0.32) MEN1GAAKMT2A
SCHEMBL29313940 0.66 S1PR1 (0.35) POLQ
SCHEMBL29313934 0.64 POLQ (0.34) POLQMAPTKDM4EALDH1A1GAA
SCHEMBL30847649 0.63 CMA1 (0.35) POLQ
SCHEMBL29313859 0.63 GAA (0.31) GAA
SCHEMBL30847635 0.63 CMA1 (0.35) POLQ
SCHEMBL29313853 0.63 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29989013 0.54 SYK (0.37)
SCHEMBL1694970 0.52 L3MBTL1 (0.54) POLQTSHRMAPTKDM4EMEN1

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