SCHEMBL30992116

SCHEMBL30992116

CC(C)(C)OC(=O)n1ccc2cc(Br)cnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.50
ENPP1 P22413 3/20 0.50
FGFR1 P11362 2/20 0.46
FGFR4 P22455 2/20 0.46
PIK3CA P42336 3/20 0.39
PIK3CD O00329 2/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EPHB4 P54760 2/20 0.39
PRKDC P78527 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PIK3R1 P27986 1/20 0.38

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
SCHEMBL13554542 1.00 ENPP3 (0.50) ENPP3ENPP1FGFR1FGFR4PIK3CA
SCHEMBL24450111 0.85 PIK3CA (0.40) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL18263905 0.84 PIK3CA (0.39) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL22130298 0.84 KDR (0.44) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL21292742 0.84 FGFR1 (0.46) ENPP3ENPP1FGFR1FGFR4PIK3CA
SCHEMBL23347080 0.83 KDR (0.39) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL25243972 0.81 ACLY (0.45) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL13262981 0.81 IRAK4 (0.44)
SCHEMBL2164484 0.81 GABRA1 (0.43) ENPP3ENPP1PIK3CAPIK3CDABL1
SCHEMBL22246971 0.80 ENPP3 (0.56) ENPP3ENPP1FGFR1FGFR4SLC22A12

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
CN-118373820-A Continuous preparation method and continuous synthesis device of 5-hydroxy-7-azaindole 峰成医药科技(天津)有限公司 2024-07-23 CN disclosed