SCHEMBL3983479

SCHEMBL3983479

O=P(O)(O)CC(n1cnc2ncnc(Cl)c21)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.33

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
SCHEMBL3977299 0.73 FDPS (0.63) FDPSADORA2A
SCHEMBL21311152 0.67 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL2063606 0.61 ADORA2A (0.64) FDPSADORA2AADORA1DNMT3A
SCHEMBL21363628 0.58 ADORA2A (0.35) ADORA2AADORA1
SCHEMBL3476218 0.57 ADORA2A (0.47) ADORA2A
SCHEMBL9544785 0.57 FPR2 (0.37) ADORA2ADNMT3A
SCHEMBL3984337 0.56 FDPS (0.51) FDPS
SCHEMBL22533664 0.56 HDAC6 (0.38) ADORA2A
SCHEMBL28384395 0.55 FDPS (0.47) FDPS
SCHEMBL4815868 0.53 ADORA2A (0.75) ADORA2AADORA1DNMT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056952-A1 GEMINAL BISPHOSPHONATES, THEIR PREPARATION AND THEIR USE IN THE FIELD OF ONCOLOGY TETRAPHARM S.R.L. (IT) 2009-05-07 WO disclosed