SCHEMBL7860969

SCHEMBL7860969

Nc1ccc(CC[C@@]2(n3cnc4c(N)ncnc43)O[C@H](CO)[C@@H](O)[C@H]2O)cc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMPS P49915 1/20 0.46
ADORA3 P0DMS8 6/20 0.43
ADORA2A P29274 3/20 0.43
POLB P06746 1/20 0.42
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
SLC28A1 O00337 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
STAT6 P42226 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28283954 0.91 GMPS (0.47) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL447209 0.87 ADORA3 (0.48) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL1434125 0.85 ADORA3 (0.48) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL29639535 0.84 ADORA3 (0.54) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL2270714 0.84 ADORA3 (0.54) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL6828797 0.81 ADORA3 (0.53) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL10786319 0.80 ADORA3 (0.52) GMPSADORA3ADORA2APOLBPI4KA
SCHEMBL2534138 0.80 ADORA3 (0.52) GMPSADORA3ADORA2APOLBPI4KA
Psicofuranine SCHEMBL691065 0.80 GMPS (0.61) GMPSADORA3ADORA2APOLBPI4KA
Psicofuranine SCHEMBL9389898 0.80 GMPS (0.61) GMPSADORA3ADORA2APOLBPI4KA

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-6303619-B1 BLOCKING VASOCONSTRICTIVE RESPONSE INDUCED THROUGH ADENOSINE ACTIVATION OF THE A.SUB.3 ADENOSINE RECEPTOR SUBTYPE, COMPRISING ADMINISTERING XANTHINE DERIVATIVE TO MAMMAL UNIVERSITY OF VIRGINIA 2001-10-16 US disclosed
US-5817760-A MAMMALIAN CELL MEMBRANES MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0689405-A4 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA INC (US) 1996-09-11 EP disclosed
EP-0689405-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1996-01-03 EP disclosed
WO-1995011681-A1 HUMAN ADENOSINE RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-05-04 WO disclosed
WO-1994021195-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1994-09-29 WO disclosed