SCHEMBL8628643

SCHEMBL8628643

Nc1nc(CCC(N)C(=O)O)nc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
GDA Q9Y2T3 1/20 0.45
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM2 Q14416 2/20 0.38
POLA1 P09884 2/20 0.38
MGMT P16455 2/20 0.38
DPP4 P27487 1/20 0.37
LMNA P02545 1/20 0.36
DRD3 P35462 1/20 0.36
PI4KA P42356 1/20 0.36
XDH P47989 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
PNP P00491 1/20 0.36

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
SCHEMBL11222102 0.80 PDPK1 (0.63) PDPK1GDAKDRAURKBPOLA1
SCHEMBL30150749 0.79 PDPK1 (0.51) PDPK1GDAPOLA1DPP4LMNA
SCHEMBL19840 0.79 PDPK1 (0.51) PDPK1GDAPOLA1DPP4LMNA
SCHEMBL8628631 0.79 GRM2 (0.35) CYP1A2GRM2
SCHEMBL7719826 0.78 PDPK1 (0.47) PDPK1GDAKDRAURKBPOLA1
SCHEMBL31239223 0.77 PDPK1 (0.53) PDPK1GDAKDRAURKBCYP1A2
SCHEMBL8592144 0.77 PDPK1 (0.53) PDPK1GDAKDRAURKBCYP1A2
SCHEMBL5322835 0.77 ALDH1A1 (0.43) CYP1A2GRM2POLA1
SCHEMBL10357384 0.77 PDPK1 (0.46) PDPK1GDAKDRAURKBCYP1A2
SCHEMBL6267288 0.77 PDPK1 (0.56) PDPK1GDAKDRAURKBPOLA1

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
US-5705333-A Peptide-based nucleic acid mimics(PENAMS) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-06 US disclosed