SCHEMBL6538264

SCHEMBL6538264

C[C@@]1(n2cnc3c(N)nc(Cl)nc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.57
ADORA3 P0DMS8 10/20 0.53
ADORA1 P30542 4/20 0.53
PDE4D Q08499 2/20 0.53
PDE3A Q14432 2/20 0.53
PDE2A O00408 1/20 0.53
ADRA1A P35348 1/20 0.53
PNP P00491 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HSP90AA1 P07900 1/20 0.45
HSP90B1 P14625 1/20 0.45
CDK1 P06493 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL6685951 0.89 AHCY (0.46) ADORA2AADORA3ADORA1LMNACDK1
SCHEMBL1938201 0.89 AHCY (0.46) ADORA2AADORA3ADORA1LMNACDK1
SCHEMBL20798007 0.88 ADORA2A (0.43) ADORA2AADORA3ADORA1LMNA
SCHEMBL226038 0.88 ADORA2A (0.43) ADORA2AADORA3ADORA1LMNA
SCHEMBL22216538 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA1PDE4DPDE3A
SCHEMBL2458484 0.85 BLM (0.44) ADORA3LMNA
Phosphoric Acid SCHEMBL1300003 0.83 RNASEL (0.42) ADORA2AADORA3ADORA1
SCHEMBL18537398 0.83 PI4KA (0.55) ADORA2AADORA3ADORA1SMN1; SMN2
SCHEMBL13061814 0.83 PI4KA (0.55) ADORA2AADORA3ADORA1SMN1; SMN2
SCHEMBL16258664 0.83 PI4KA (0.55) ADORA2AADORA3ADORA1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP claimed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO claimed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO claimed
EP-1485395-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS Biota, Inc. (US) 2004-12-15 EP disclosed
WO-2003072757-A9 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA INC (US) 2004-10-21 WO disclosed
WO-2003072757-A2 NUCLEOTIDE MIMICS AND THEIR PRODRUGS BIOTA, INC. (US) 2003-09-04 WO disclosed