SCHEMBL10587742

SCHEMBL10587742

CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OC(=O)CCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.61
HSP90B1 P14625 1/20 0.59
PRKACA P17612 2/20 0.56
EHMT1 Q9H9B1 1/20 0.56
MARS1 P56192 1/20 0.56
ADORA1 P30542 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
FBP1 P09467 1/20 0.55
SRC P12931 1/20 0.55
P2RY2 P41231 1/20 0.55
P2RY1 P47900 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL22875787 0.93 EHMT1 (0.60) AHCYHSP90B1PRKACAEHMT1
SCHEMBL22875576 0.93 EHMT1 (0.60) AHCYHSP90B1PRKACAEHMT1
SCHEMBL6536429 0.93 HSP90B1 (0.57) AHCYHSP90B1PRKACAMARS1ADORA1
SCHEMBL5179547 0.92 AHCY (0.60) AHCYHSP90B1PRKACAMARS1ADORA1
SCHEMBL11686718 0.91 AHCY (0.62) AHCYHSP90B1PRKACAEHMT1MARS1
SCHEMBL10586454 0.91 PRKACA (0.67) AHCYHSP90B1PRKACAEHMT1MARS1
SCHEMBL6536155 0.91 PRKACA (0.67) AHCYHSP90B1PRKACAEHMT1MARS1
SCHEMBL18486639 0.87 RNASEL (0.64) ADORA1SMN1; SMN2DNPH1PRKAB2TRPM2
SCHEMBL2483993 0.87 ADORA3 (0.60) HSP90B1PRKACAMARS1ADORA1SMN1; SMN2
SCHEMBL3414711 0.87 ADORA3 (0.55) AHCYHSP90B1PRKACAEHMT1MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4048432-A 9-(3,5-Di-O-acyl-β-D-arabinofuranosyl)adenine compounds and method for their production PARKE, DAVIS & COMPANY (US) 1977-09-13 US claimed
EP-0317728-A2 Use of 9-(beta-D-arabinofuranosyl) adenine derivatives for the preparation of pharmaceutical compositions for the treatment of aids WARNER-LAMBERT COMPANY (US) 1989-05-31 EP disclosed
US-4048432-A 9-(3,5-Di-O-acyl-β-D-arabinofuranosyl)adenine compounds and method for their production PARKE, DAVIS & COMPANY (US) 1977-09-13 US disclosed