SCHEMBL11215534

SCHEMBL11215534

Nc1nc(=O)c2[nH]cnc2n1CCC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.53
ADORA2A P29274 11/20 0.41
ADORA2B P29275 8/20 0.41
PDE2A O00408 2/20 0.41
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
PDE4A P27815 12/20 0.40
PDE4B Q07343 12/20 0.40
PDE4C Q08493 12/20 0.40
PDE4D Q08499 12/20 0.40
ADORA1 P30542 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CFTR P13569 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN1A P35498 1/20 0.38

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
SCHEMBL11222786 0.86 PNP (0.52) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL11215532 0.82 PNP (0.36) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL7617801 0.81 ADORA2A (0.40) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL7617790 0.76 PNP (0.36) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL6035390 0.75 PNP (0.63) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL563300 0.75 ADORA2B (0.63) PNPADORA2AADORA2BPDE4APDE4B
SCHEMBL28126938 0.74 PDE4A (0.65) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL29015263 0.74 ADORA2A (0.61) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL5667530 0.71 ADORA2A (0.61) PNPADORA2AADORA2BPDE2APDE1A
SCHEMBL10871528 0.70 PNP (0.57) PNPCYP3A4TSHRBLMHSD17B10

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