SCHEMBL5049640

SCHEMBL5049640

CC1=Nc2c(N)ncnc2[N]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.33
PI4K2B Q8TCG2 3/20 0.33
PI4K2A Q9BTU6 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
LIMK1 P53667 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RET P07949 2/20 0.32
LRRK2 Q5S007 2/20 0.32
XDH P47989 2/20 0.32
DGAT1 O75907 1/20 0.32
KDR P35968 7/20 0.31
MAP4K4 O95819 3/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL8918021 0.77 PI4KA (0.31) PI4KAPI4K2BPI4K2API4KBRET
SCHEMBL5049784 0.77 PDE4A (0.32) KDM4E
SCHEMBL2255357 0.74 DGAT1 (0.31) DGAT1MAP4K4
SCHEMBL2254845 0.74 KDR (0.31) DGAT1KDR
SCHEMBL2733281 0.74 DGAT1 (0.31) DGAT1
SCHEMBL2260101 0.74 PDE5A (0.34) PI4KAPI4K2BPI4K2API4KBDGAT1
SCHEMBL9586925 0.74 PDPK1 (0.34) NPC1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL2254441 0.71 MAP4K4 (0.33) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL2254612 0.70 DGAT1 (0.31) PI4KAPI4K2BPI4K2API4KBDGAT1
SCHEMBL2733366 0.70 DGAT1 (0.30) DGAT1

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
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO disclosed