SCHEMBL7515828

SCHEMBL7515828

CC(C)(CN)c1ncnc2n[nH]c(-c3ccccc3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.58
PIK3CA P42336 14/20 0.58
PIK3CB P42338 14/20 0.58
PIK3CG P48736 14/20 0.58
PRKDC P78527 14/20 0.58
NUDT14 O95848 1/20 0.47
NUDT5 Q9UKK9 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.44
ADK P55263 1/20 0.44
DYRK1A Q13627 1/20 0.44
ABL1 P00519 3/20 0.43
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
CDK1 P06493 1/20 0.43
HCK P08631 1/20 0.42
KDR P35968 1/20 0.42
MTOR P42345 1/20 0.42
EPHB4 P54760 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
FYN P06241 1/20 0.41

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
SCHEMBL7511894 0.88 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6055347 0.87 ABL1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21806882 0.76 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.74 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21806817 0.74 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14743030 0.72 SRC (0.41) ABL1SRCHCKFYN
SCHEMBL30387566 0.72 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8327348 0.71 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7078911 0.69 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6235341 0.67 EGFR (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016976-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2002-02-07 US disclosed
EP-1017823-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 2000-07-12 EP disclosed
WO-1998035048-A2 ENGINEERED PROTEIN KINASES WHICH CAN UTILIZE MODIFIED NUCLEOTIDE TRIPHOSPHATE SUBSTRATES PRINCETON UNIVERSITY (US) 1998-08-13 WO disclosed