SCHEMBL3005658

SCHEMBL3005658

Nc1nc(N)c2ncn(CC3(O[C](CC(F)(F)F)CC(F)(F)F)CC3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.49
CDK2 P24941 5/20 0.49
CDK1 P06493 4/20 0.49
CCNB1 P14635 4/20 0.49
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
AHCY P23526 1/20 0.35
PDE8A O60658 3/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
METTL3 Q86U44 1/20 0.31
METTL14 Q9HCE5 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL2999175 0.90 CCNE1 (0.37) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL2995693 0.87 HSP90AB1 (0.42) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3000249 0.86 PDE4A (0.38) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3005457 0.85 ADORA2A (0.48) AHCYADORA2AADORA1METTL3METTL14
SCHEMBL2988381 0.84 CDK2 (0.36) CCNE1CDK2CDK1CCNB1ADORA1
SCHEMBL2996736 0.83 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL2996929 0.82 CYP1A2 (0.40) CCNE1CDK2CDK1CCNB1PDE4A
SCHEMBL3005664 0.80 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL2995160 0.80 ADORA2A (0.35) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3293405 0.78 CDK1 (0.44) CCNE1CDK2CDK1CCNB1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed