SCHEMBL9255634

SCHEMBL9255634

Nc1ncnc2ncn(CC3(CO)CC3CO)c12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.49
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
ADORA1 P30542 2/20 0.37
PIK3CD O00329 2/20 0.33
ADORA3 P0DMS8 3/20 0.32
SLC28A1 O00337 2/20 0.32
PI4K2A Q9BTU6 1/20 0.32
SLC28A2 O43868 1/20 0.32
AHCY P23526 3/20 0.30

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
SCHEMBL7799930 0.80 ADORA2A (0.53) ADORA2AADORA1ADORA3SLC28A1PI4K2A
SCHEMBL7453070 0.77
SCHEMBL7453078 0.77
SCHEMBL7457758 0.77
SCHEMBL9263234 0.77
SCHEMBL6943828 0.75 ADORA3 (0.37) ADORA3
SCHEMBL1665301 0.73 ADORA2A (0.69) ADORA2AEGFRSRCKDRTEK
SCHEMBL9396768 0.72 EGFR (0.40) ADORA2AEGFRSRCKDRTEK
SCHEMBL4815870 0.70 ADORA2A (0.71) ADORA2AEGFRSRCKDRTEK
SCHEMBL7449974 0.69 HDAC6 (0.41)

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-5449840-A Viricides AJINOMOTO CO., INC. (JP) 1995-09-12 US disclosed
US-5342840-A Viricides AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0502690-A2 Cyclopropane derivative Ajinomoto Co., Inc. (JP) 1992-09-09 EP disclosed