SCHEMBL31355592

SCHEMBL31355592

CC(C)(C)OC(=O)n1ccc2ccnc(Br)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
PIK3CA P42336 3/20 0.38
PIK3R1 P27986 1/20 0.38
BUB1 O43683 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PIK3CD O00329 2/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
PIK3CB P42338 2/20 0.36
MTOR P42345 2/20 0.36
PIK3CG P48736 2/20 0.36
EPHB4 P54760 2/20 0.36
PRKDC P78527 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
TNK2 Q07912 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL30500251 0.82 ACLY (0.38) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL21565885 0.82 ACLY (0.38) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL19100224 0.81 ACLY (0.37) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL31355587 0.81 ACLY (0.39) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL16205512 0.81 HSP90AA1 (0.39) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL29544675 0.78 PIK3CA (0.40) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL18440384 0.78 BUB1 (0.38) PIK3CAPIK3R1BUB1HSP90AA1HSP90AB1
SCHEMBL1314041 0.77 ACLY (0.47) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL4779283 0.76 GPR119 (0.38) ACLYPIK3CAPIK3R1BUB1HSP90AA1
SCHEMBL24112566 0.76 ACLY (0.48) ACLYPIK3CAPIK3R1BUB1HSP90AA1

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-119330941-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2025-01-21 CN disclosed