SCHEMBL4960973

SCHEMBL4960973

CC(C)C1C(C)(C)C1(Cn1cnc2c(N)ncnc21)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.53
ADORA1 P30542 6/20 0.53
PI4KA P42356 4/20 0.52
PI4K2B Q8TCG2 4/20 0.52
PI4K2A Q9BTU6 4/20 0.52
PI4KB Q9UBF8 4/20 0.52
ADORA2B P29275 3/20 0.50
METTL3 Q86U44 1/20 0.47
METTL14 Q9HCE5 1/20 0.47
AHCY P23526 4/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 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
SCHEMBL12620928 0.72 ADORA2A (0.77) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8815696 0.71 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25861 0.71 ADORA2A (0.75) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1924594 0.70 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29496348 0.70 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17162884 0.70 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17162883 0.70 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1982410 0.70 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL904363 0.70 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29135599 0.70 ADORA2A (0.73) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-A4 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2008-03-05 EP disclosed
EP-1358198-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG Chem Investment, Ltd. (KR) 2003-11-05 EP disclosed
WO-2002057288-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD. (KR) 2002-07-25 WO disclosed