SCHEMBL5016005

SCHEMBL5016005

CC(C)C(OC1(Cn2cnc3c(N)ncnc32)CC1)(C(C)C)[PH](=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.47
ADORA1 P30542 4/20 0.47
METTL3 Q86U44 1/20 0.45
METTL14 Q9HCE5 1/20 0.45
CYP3A4 P08684 1/20 0.44
PI4KA P42356 2/20 0.44
PI4K2B Q8TCG2 2/20 0.44
PI4K2A Q9BTU6 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
ALDH1A1 P00352 1/20 0.42
ADORA2B P29275 1/20 0.42
AHCY P23526 7/20 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
SCHEMBL3288147 0.82 CYP3A4 (0.52) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL2904497 0.74 ADORA2A (0.46) ADORA2AADORA1METTL3METTL14PI4KA
SCHEMBL2937354 0.74 FAP (0.52) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL3293432 0.73 FGFR1 (0.47) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL13328610 0.72 CYP3A4 (0.50) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL2904496 0.72 FGFR1 (0.61) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL3288510 0.72 ADORA2A (0.47) ADORA2AADORA1METTL3METTL14CYP3A4
SCHEMBL3005461 0.71 ADORA2A (0.48) ADORA2AADORA1METTL3METTL14PI4KA
SCHEMBL3005457 0.71 ADORA2A (0.48) ADORA2AADORA1METTL3METTL14PI4KA
SCHEMBL2913580 0.70 CYP3A4 (0.50) ADORA2AADORA1METTL3METTL14CYP3A4

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