SCHEMBL8325672

SCHEMBL8325672

N#CCc1n[nH]c2ncnc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PIK3CD O00329 9/20 0.35
PIK3CA P42336 9/20 0.35
PIK3CB P42338 9/20 0.35
PIK3CG P48736 9/20 0.35
PRKDC P78527 9/20 0.35
PI4KB Q9UBF8 3/20 0.35
MTOR P42345 3/20 0.35
ABL1 P00519 3/20 0.35
SRC P12931 3/20 0.35
EGFR P00533 2/20 0.35
HCK P08631 2/20 0.35
KDR P35968 2/20 0.35
EPHB4 P54760 2/20 0.35
LRRK2 Q5S007 5/20 0.33
RET P07949 1/20 0.33
PI4KA P42356 1/20 0.33
XDH P47989 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 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
SCHEMBL13717511 0.77 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10824552 0.76 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1845744 0.74 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8325669 0.73 PIK3CD (0.46) KDM4EPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12551786 0.73 GAA (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL20142878 0.72 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3254955 0.72 LMNA (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8466429 0.72 PI4KA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL28508442 0.72 RET (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24006055 0.71 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed