SCHEMBL5317973

SCHEMBL5317973

CC(=O)OCC1OC(n2cnc3c(Br)ncnc32)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
P2RX3 P56373 4/20 0.54
P2RX1 P51575 3/20 0.54
P2RX4 Q99571 3/20 0.54
AMD1 P17707 2/20 0.46
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1796855 1.00 RXFP1 (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16579246 0.89 RXFP1 (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798271 0.89 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL3407241 0.89 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798145 0.89 RXFP1 (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL30544933 0.89 PI4KA (0.73) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1795772 0.86 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL5672710 0.85 PI4KA (0.63) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1799672 0.85 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL11889816 0.85 PI4KA (0.80) RXFP1PI4KAPI4K2BPI4K2API4KB

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
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed