SCHEMBL16152178

SCHEMBL16152178

OCC(CO)N[C@H](CO)c1c[nH]c2c(O)ncnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.64
MTAP Q13126 11/20 0.62
CDC7 O00311 1/20 0.31
CHEK1 O14757 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
PDPK1 O15530 1/20 0.31
DYRK3 O43781 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
NTRK1 P04629 1/20 0.31
PRKCG P05129 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CDK1 P06493 1/20 0.31
LYN P07948 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
SCHEMBL1945120 0.78 PNP (1.00) PNPMTAP
SCHEMBL1945118 0.78 PNP (1.00) PNPMTAP
SCHEMBL1946264 0.78 PNP (1.00) PNPMTAP
SCHEMBL1221800 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1221575 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1221796 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1222054 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1222735 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1223076 0.77 MTAP (1.00) PNPMTAP
SCHEMBL1221570 0.77 MTAP (1.00) PNPMTAP

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-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed