SCHEMBL11027033

SCHEMBL11027033

Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.70
P2RY2 P41231 3/20 0.70
SRC P12931 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
DNPH1 O43598 1/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
ADORA1 P30542 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
TAS1R3 Q7RTX0 1/20 0.70
TAS1R1 Q7RTX1 1/20 0.70
P2RY11 Q96G91 1/20 0.70

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
SCHEMBL30969941 1.00 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20277526 1.00 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL15305338 1.00 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL30558659 0.92 P2RY1 (0.66) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL20277545 0.92 ADK (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Tubercidin Triphosphate SCHEMBL12932266 0.91 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Tubercidin Triphosphate SCHEMBL29357683 0.91 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL22524124 0.91 P2RY1 (0.61) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL14853624 0.88 P2RY1 (0.65) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Tubercidin SCHEMBL9239366 0.86 ADK (0.73) SMN1; SMN2ADORA1ADKPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352795-A 7-β-D-Arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-10-05 US claimed
EP-0057548-A2 7-Beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-4-amine 5'-phosphate compounds useful as antiviral agents, pharmaceutical compositions containing the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1982-08-11 EP claimed
EP-0057548-B1 7-BETA-D-ARABINOFURANOSYL-7H-PYRROLO(2,3-D)PYRIMIDINE-4-AMINE 5'-PHOSPHATE COMPOUNDS USEFUL AS ANTIVIRAL AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1985-07-03 EP disclosed
US-4439604-A 7-β-D-Arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1984-03-27 US disclosed
US-4352795-A 7-β-D-Arabinofuranosyl-7H-pyrrolo[2,3-d]pyrimidine compounds and methods for their production WARNER-LAMBERT COMPANY (US) 1982-10-05 US disclosed
EP-0057548-A2 7-Beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-4-amine 5'-phosphate compounds useful as antiviral agents, pharmaceutical compositions containing the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1982-08-11 EP disclosed
EP-0057548-A2 7-Beta-D-arabinofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-4-amine 5'-phosphate compounds useful as antiviral agents, pharmaceutical compositions containing the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1982-08-11 EP disclosed