SCHEMBL4267966

SCHEMBL4267966

O=c1ccn([C@]2(F)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 13/20 0.46
POLA1 P09884 1/20 0.45
P2RY2 P41231 7/20 0.44
P2RY4 P51582 3/20 0.44
P2RY14 Q15391 3/20 0.43

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
SCHEMBL2176031 0.91 P2RY6 (0.47) P2RY6POLA1P2RY2P2RY4P2RY14
SCHEMBL2800175 0.83 P2RY6 (0.58) P2RY6POLA1P2RY2P2RY4P2RY14
SCHEMBL425422 0.83 SLC28A1 (0.47) P2RY6P2RY2P2RY4P2RY14
SCHEMBL34463723 0.83 P2RY14 (0.45) P2RY6POLA1P2RY2P2RY4P2RY14
SCHEMBL607049 0.82 POLA1 (0.60) P2RY6POLA1P2RY2P2RY4
SCHEMBL18486630 0.81 P2RY2 (0.48) P2RY6P2RY2P2RY4P2RY14
SCHEMBL32679517 0.80 P2RY2 (0.45) P2RY6P2RY2P2RY4P2RY14
SCHEMBL11688927 0.80 P2RY6 (0.45) P2RY6POLA1P2RY2P2RY4P2RY14
SCHEMBL475344 0.80 P2RY6 (0.51) P2RY6POLA1P2RY2P2RY4
SCHEMBL3759574 0.79 POLA1 (0.44) P2RY6POLA1P2RY2P2RY4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8388966-B2 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. (US) 2013-03-05 US disclosed
US-20090004200-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2009-01-01 US disclosed
US-20060140962-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2006-06-29 US disclosed
EP-1372717-A2 COMBINATION TREATMENT OF PANCREATIC CANCER APHTON CORPORATION (US) 2004-01-02 EP disclosed
US-20030091574-A1 Combination treatment of pancreatic cancer CANCER ADVANCES, INC. 2003-05-15 US disclosed
WO-2002076499-A2 COMBINATION TREATMENT OF PANCREATIC CANCER APHTON CORPORATION (US) 2002-10-03 WO disclosed