SCHEMBL31123747

SCHEMBL31123747

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2ccn(C(=O)OC(C)(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PIK3CA P42336 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
BUB1 O43683 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
GPR119 Q8TDV5 7/20 0.33

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
SCHEMBL25111394 1.00 PIK3CD (0.36) PIK3CDABL1EGFRHCKSRC
SCHEMBL27458676 0.79 HSP90AA1 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL25053114 0.79 HSP90AA1 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL18009865 0.79 BUB1 (0.34) PIK3CDABL1EGFRHCKSRC
SCHEMBL15818346 0.79 PIK3CA (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL21683427 0.78 HSP90AA1 (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL23346899 0.78 GPR119 (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL27869342 0.75 PIK3CD (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL25434638 0.74 MAP3K14 (0.38)
SCHEMBL22978764 0.73 CYP1A2 (0.33) CKS1BSKP1SKP2

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