SCHEMBL28660356

SCHEMBL28660356

CN1C(=O)N(C2CCOCC2)Cc2c(O)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MTOR P42345 1/20 0.33
JAK2 O60674 4/20 0.33
JAK1 P23458 2/20 0.32
FGFR4 P22455 2/20 0.32
PDE7A Q13946 1/20 0.32
CCR5 P51681 2/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL28675760 0.83 PRKDC (0.33) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30853317 0.70 FGFR4 (0.44) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL27186898 0.70 CNR2 (0.36) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14374406 0.70 PRKDC (0.39) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL28655766 0.64 PIK3CA (0.35) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL28659280 0.61 PARP1 (0.33)
SCHEMBL13545318 0.59 PRKDC (0.33) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30030718 0.59 PRKDC (0.57) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL6844511 0.59 PRKDC (0.57) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30031644 0.59 PRKDC (0.48) PRKDCPIK3CAPIK3CDPIK3CBPIK3CG

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-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed