SCHEMBL3985853

SCHEMBL3985853

CCOP(=O)(CC(n1cnc2c(Cl)ncnc21)P(=O)(OCC)OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
FGFR1 P11362 5/20 0.34
FGFR4 P22455 5/20 0.34
HDAC6 Q9UBN7 1/20 0.34
P2RX7 Q99572 2/20 0.33
ENPP1 P22413 2/20 0.33
ENPP3 O14638 1/20 0.33
DGAT1 O75907 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
AHCY P23526 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL3981358 0.75 FDPS (0.67) FDPSADORA2AADORA1FGFR1FGFR4
SCHEMBL3985727 0.74 FDPS (0.58) FDPSFGFR1FGFR4HDAC6P2RX7
SCHEMBL29782733 0.71 CYP3A4 (0.38) FDPSFGFR1
SCHEMBL2003351 0.71 ADORA2A (0.44) FDPSADORA2AADORA2BADORA1FGFR1
SCHEMBL9683381 0.70 FDPS (0.42) FDPSFGFR1FGFR4HDAC6P2RX7
SCHEMBL9683394 0.69 FDPS (0.41) FDPSFGFR1FGFR4HDAC6P2RX7
SCHEMBL9417142 0.69 FDPS (0.41) FDPSFGFR1FGFR4HDAC6P2RX7
SCHEMBL16617509 0.68 FDPS (0.46) FDPSFGFR1FGFR4HDAC6P2RX7
SCHEMBL2475932 0.68 ADORA2A (0.64) FDPSADORA2AADORA2BADORA1FGFR1
SCHEMBL31331738 0.68 ADORA2A (0.64) FDPSADORA2AADORA2BADORA1FGFR1

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 2 patents. 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 claimed
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