SCHEMBL31123773

SCHEMBL31123773

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(F)nc2c1ccn2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
BCHE P06276 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDPK1 O15530 1/20 0.33
ACLY P53396 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
GBA1 P04062 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
SCHEMBL31123801 1.00 BUB1 (0.34) BUB1BCHEHSP90AA1HSP90AB1PDPK1
SCHEMBL28914081 0.91 PDPK1 (0.33) PDPK1GBA1
SCHEMBL23458593 0.87 BUB1 (0.34) BUB1BCHEHSP90AA1HSP90AB1PDPK1
SCHEMBL29838663 0.87 BUB1 (0.34) BUB1BCHEHSP90AA1HSP90AB1PDPK1
SCHEMBL19714886 0.81 PDPK1 (0.42) BUB1BCHEHSP90AA1HSP90AB1PDPK1
SCHEMBL23458592 0.77 MEN1 (0.32) PDPK1GBA1
SCHEMBL18009865 0.77 BUB1 (0.34) BUB1BCHEHSP90AA1HSP90AB1PIK3CD
SCHEMBL21683427 0.76 HSP90AA1 (0.38) BUB1BCHEHSP90AA1HSP90AB1PIK3CD
SCHEMBL19730196 0.73 HTR6 (0.36) BUB1BCHEHSP90AA1HSP90AB1PDPK1
SCHEMBL30002876 0.72 JAK1 (0.39) PDPK1

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-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed