SCHEMBL21187335

SCHEMBL21187335

Cc1ncc2c(O[C@H]3CC[C@@H](N4C(=O)c5ccccc5C4=O)CC3)cc(Br)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
AXL P30530 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 1/20 0.31
SYK P43405 1/20 0.31
SCD O00767 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
SCHEMBL30823280 1.00 L3MBTL1 (0.38) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21177939 1.00 L3MBTL1 (0.38) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21177900 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL21187336 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL30823307 0.83 DCLK1 (0.39) L3MBTL1ALDH1A1MAPK1SYK
SCHEMBL16040372 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30790686 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL30790682 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL16039398 0.79 ALDH1A1 (0.37) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL21187303 0.75 L3MBTL1 (0.34) L3MBTL1ADRA1DADRA1AADRA1BALDH1A1

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-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 WO disclosed