SCHEMBL2999182

SCHEMBL2999182

Nc1nc(O)c2ncn(CC3(OC(CC(F)(F)F)CC(F)(F)F)CC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.36
CDK2 P24941 4/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
SLC29A1 Q99808 1/20 0.30
METTL3 Q86U44 1/20 0.30
METTL14 Q9HCE5 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL3005664 0.89 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL2995698 0.85 HSP90AB1 (0.42) CCNE1CDK2CDK1CCNB1
SCHEMBL3000253 0.85 PDE4A (0.38) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL2988384 0.83 CDK1 (0.36) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL2999175 0.82 CCNE1 (0.37) CCNE1CDK2CDK1CCNB1ADORA2A
SCHEMBL2996742 0.81 HDAC1 (0.43)
SCHEMBL2996932 0.81 CYP1A2 (0.40) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL3005461 0.79 ADORA2A (0.48) METTL3METTL14ADORA2AADORA1
SCHEMBL2942828 0.78 FAP (0.35) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL2995163 0.78 ADORA2A (0.35) CCNE1CDK2CDK1CCNB1SLC29A1

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