SCHEMBL8325669

SCHEMBL8325669

N#CCc1[nH]nc2ncnc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.46
PIK3CA P42336 17/20 0.46
PIK3CB P42338 17/20 0.46
PIK3CG P48736 17/20 0.46
PRKDC P78527 17/20 0.46
ABL1 P00519 2/20 0.44
SRC P12931 2/20 0.44
MTOR P42345 2/20 0.41
SGK1 O00141 1/20 0.41
MEN1 O00255 1/20 0.41
DYRK3 O43781 1/20 0.41
EIF4E P06730 1/20 0.41
EIF2AK2 P19525 1/20 0.41
CSNK1D P48730 1/20 0.41
KMT2A Q03164 1/20 0.41
BRSK2 Q8IWQ3 1/20 0.41
AURKB Q96GD4 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
NUDT14 O95848 1/20 0.40

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
SCHEMBL8323143 0.79 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL10824553 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8325672 0.73 KDM4E (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8466427 0.73 PI4KB (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6876344 0.72 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3420175 0.71 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14742662 0.69 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3422985 0.69 ABL1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3423942 0.69 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL887847 0.68 PIK3CD (0.44) 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