SCHEMBL22972835

SCHEMBL22972835

COc1ccc2nc3cc(N4CCC([18F])CC4)ccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 15/20 0.42
TLR7 Q9NYK1 13/20 0.42
PIK3CD O00329 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL2162822 1.00 TLR9 (0.42) TLR9TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL2163138 0.90 KDM4E (0.47) TLR9TLR7NPM1ALK
SCHEMBL12323631 0.90 TLR9 (0.41) TLR9TLR7PIK3CDPIK3CAPIK3CB
SCHEMBL2162454 0.87 TLR9 (0.40) TLR9TLR7
SCHEMBL22972838 0.87 TLR9 (0.40) TLR9TLR7
SCHEMBL2162653 0.84 TLR9 (0.38) TLR9TLR7NPM1ALK
SCHEMBL2164515 0.80 DGAT1 (0.42) PIK3CDPIK3CAPIK3CBNPM1ALK
SCHEMBL2163296 0.74 ALK (0.60) NPM1ALK
SCHEMBL2162795 0.74 ALK (0.38) PIK3CDPIK3CAPIK3CBNPM1ALK
SCHEMBL20515380 0.73 IKBKB (0.40)

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
EP-3374358-B1 AZETIDINE DERIVATIVES FOR TAU IMAGING LILLY CO ELI (US) 2021-02-17 EP disclosed