SCHEMBL3984337

SCHEMBL3984337

O=P(O)(O)C(Cn1cnc2nc(Cl)nc(Cl)c21)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.51
GGPS1 O95749 3/20 0.45
P2RY1 P47900 4/20 0.39
P2RX7 Q99572 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 0.82 FDPS (0.63) FDPSGGPS1P2RY1P2RX7
SCHEMBL3982080 0.78 FDPS (0.69) FDPSGGPS1P2RY1P2RX7
SCHEMBL3979481 0.75 FDPS (0.49) FDPSGGPS1P2RY1
SCHEMBL24476380 0.72 CSNK2A1 (0.37) P2RX7
SCHEMBL24476357 0.72 P2RY1 (0.39) P2RY1
SCHEMBL24476329 0.71 P2RX7 (0.33) P2RX7
SCHEMBL24476664 0.71 CSNK2A1 (0.36) P2RX7
SCHEMBL24476543 0.71 P2RX7 (0.33) P2RX7
SCHEMBL22912677 0.69 ADORA2B (0.39) P2RX7
SCHEMBL31714921 0.69 P2RX7 (0.34) P2RX7

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