SCHEMBL11215532

SCHEMBL11215532

Nc1nc(=O)c2nc[nH]c2n1CCC(O)CO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.36
HPRT1 P00492 2/20 0.33
PDE2A O00408 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 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
SCHEMBL11222783 0.86 PNP (0.36) PNPPDE2AADORA2AADORA2BPDE1A
SCHEMBL11215534 0.82 PNP (0.53) PNPPDE2AADORA2AADORA2BADORA1
SCHEMBL7617790 0.81 PNP (0.36) PNPHPRT1PDE2AADORA2AADORA2B
SCHEMBL17580687 0.77 MEN1 (0.44) PNPHPRT1
SCHEMBL6035387 0.76 ADORA2A (0.42) PNPADORA2AADORA2BADORA1
SCHEMBL7617801 0.76 ADORA2A (0.40) PNPPDE2AADORA2AADORA2BPDE1A
SCHEMBL7050396 0.74 PNP (0.36) PNP
SCHEMBL5667528 0.74 ADORA2B (0.47) PNPADORA2AADORA2BADORA1
SCHEMBL7055773 0.72 PNP (0.35) PNPADORA2AADORA2B
SCHEMBL27547350 0.72 TK1 (0.32) PNPHPRT1ADORA2AADORA2B

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-1982002202-A1 NOVEL DERIVATIVES OF GUANINE ASTRA LAEKEMEDEL AB (SE) 1982-07-08 WO disclosed