SCHEMBL716337

SCHEMBL716337

CCCCc1nc2nc(N(C)OC(=O)[C@@H](N)C(C)C)[nH]c(=O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.31
MAPK1 P28482 1/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL6272728 0.68 PNP (0.58) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL716338 0.67 XDH (0.42)
SCHEMBL8522269 0.65 PNP (0.56) PI4KAPI4K2BPI4K2API4KBMEN1
Acetic Acid SCHEMBL4280717 0.64 PNP (0.49) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL8536005 0.64 PNP (0.54) PI4KAPI4K2BPI4K2API4KB
SCHEMBL6272296 0.64 PNP (0.54) PI4KAPI4K2BPI4K2API4KB
SCHEMBL9059982 0.64 XDH (0.43) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL7777164 0.64 PNP (0.54) PI4KAPI4K2BPI4K2API4KB
SCHEMBL2732869 0.63 XDH (0.46) PI4KAPI4K2BPI4K2API4KBMEN1
Hydrochloric Acid SCHEMBL258896 0.63 PNP (0.53) PI4KAPI4K2BPI4K2API4KB

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-8124609-B2 Acyclic nucleoside derivatives MEDIVIR AB (SE) 2012-02-28 US disclosed