SCHEMBL21769321

SCHEMBL21769321

CCN(C)c1cnc(N)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
AOC3 Q16853 1/20 0.37
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
NOS1 P29475 2/20 0.34
FEN1 P39748 8/20 0.34
GBA1 P04062 1/20 0.33
ALOX5AP P20292 7/20 0.32
POLB P06746 1/20 0.32
HCAR3 P49019 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GABRP O00591 1/20 0.31

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
SCHEMBL5042475 0.81 AR (0.43) AOC3NOS2POLBHCAR3HRH3
SCHEMBL18708818 0.81 GBA1 (0.47) AOC3NOS3NOS2NOS1FEN1
SCHEMBL5133492 0.78 AR (0.39) FEN1ALOX5APPOLBHCAR3HRH3
SCHEMBL11625025 0.78 NOS3 (0.41) PIK3CDPIK3CANOS3NOS2NOS1
SCHEMBL5037391 0.77 NOS3 (0.38) NOS3NOS2NOS1FEN1ALOX5AP
SCHEMBL179289 0.77 AOC3 (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL9925938 0.77 AOC3 (0.35) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL179514 0.76 AOC3 (0.33) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2789944 0.76 ADK (0.40) PIK3CDALOX5APPOLBHRH3
SCHEMBL12186836 0.75 AOC3 (0.34) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed