SCHEMBL9550940

SCHEMBL9550940

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCc2ccccc2)[C@@H](S)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.62
ERBB2 P04626 1/20 0.62
ADORA1 P30542 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60

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
SCHEMBL16486809 0.92 ADORA1 (0.69) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL26808204 0.86 ADORA3 (0.67) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL26808295 0.86 ADORA3 (0.67) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL16487371 0.86 EHMT1 (0.71) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL17910030 0.85 EHMT1 (0.73) ADORA1ADORA3DPP4MEN1SLC28A1
SCHEMBL2115819 0.84 EHMT1 (0.71) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL10665708 0.83 EHMT1 (0.70) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL1490898 0.83 EGFR (0.71) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL5695357 0.82 EGFR (0.84) EGFRERBB2ADORA1ADORA3DPP4
SCHEMBL30893122 0.82 EGFR (0.84) EGFRERBB2ADORA1ADORA3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP claimed
JP-5208993-A None JP disclosed
JP-H05208993-A PHARMACEUTICAL COMPOSITION FOR TREATMENT OF ISCHEMIA BIORESEARCH SPA 1993-08-20 JP disclosed
EP-0526866-A1 The use of adenosine compounds for the preparation in the treatment of ischaemia BIORESEARCH S.p.A. (IT) 1993-02-10 EP disclosed