SCHEMBL29544675

SCHEMBL29544675

CC(C)(C)OC(=O)n1ccc2nccc(Br)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
PIK3R1 P27986 1/20 0.40
BUB1 O43683 1/20 0.38
SSTR4 P31391 1/20 0.36
BCHE P06276 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GPR119 Q8TDV5 4/20 0.34
POLB P06746 1/20 0.34
TNK2 Q07912 1/20 0.33
ACLY P53396 1/20 0.32
ELANE P08246 1/20 0.32
RET P07949 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL31440156 0.83 HSP90AA1 (0.39) PIK3CAPIK3R1BUB1BCHEHSP90AA1
SCHEMBL15091349 0.82 BUB1 (0.37) PIK3CAPIK3R1BUB1BCHEHSP90AA1
SCHEMBL25394175 0.78 ELANE (0.41) PIK3CAPIK3R1SSTR4BCHEGPR119
SCHEMBL31050053 0.78 ELANE (0.41) PIK3CAPIK3R1SSTR4BCHEGPR119
SCHEMBL31355592 0.78 ACLY (0.39) PIK3CAPIK3R1BUB1BCHEHSP90AA1
SCHEMBL29522590 0.78 PIK3CA (0.38) PIK3CAPIK3R1BUB1SSTR4BCHE
SCHEMBL138212 0.78 PIK3CA (0.38) PIK3CAPIK3R1BUB1SSTR4BCHE
SCHEMBL19667735 0.78 PIK3R1 (0.38) PIK3CAPIK3R1BUB1BCHEHSP90AA1
SCHEMBL30935087 0.77 ELANE (0.51) PIK3CAPIK3R1BUB1BCHEHSP90AA1
SCHEMBL759396 0.74 SLC22A12 (0.48) PIK3CABUB1BCHEHSP90AA1HSP90AB1

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed