SCHEMBL5319686

SCHEMBL5319686

CC1(C)O[C@@H]2C(CO)CC(n3cnc4c(Cl)ncnc43)[C@@H]2O1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
AHCY P23526 2/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL1799630 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17889809 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5318875 1.00 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL23776534 0.90 AHCY (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL18512602 0.90 AHCY (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5370706 0.89 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL23776486 0.89 PI4KA (0.42) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL12779230 0.87 RXFP1 (0.40) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL22883255 0.87 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL31756651 0.87 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY

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