SCHEMBL3005461

SCHEMBL3005461

Nc1ncnc2c1ncn2CC1(OC(CC(F)(F)F)CC(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.48
ADORA1 P30542 4/20 0.48
PI4KA P42356 3/20 0.48
PI4K2B Q8TCG2 3/20 0.48
PI4K2A Q9BTU6 3/20 0.48
PI4KB Q9UBF8 3/20 0.48
METTL3 Q86U44 1/20 0.46
METTL14 Q9HCE5 1/20 0.46
NSD2 O96028 2/20 0.44
NSD3 Q9BZ95 2/20 0.44
ADORA2B P29275 1/20 0.43
AHCY P23526 5/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL3005664 0.85 CCNE1 (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3005457 0.80 ADORA2A (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2999182 0.79 CCNE1 (0.36) ADORA2AADORA1METTL3METTL14
SCHEMBL2995698 0.78 HSP90AB1 (0.42)
SCHEMBL3000253 0.77 PDE4A (0.38)
SCHEMBL3293432 0.75 FGFR1 (0.47) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2988384 0.75 CDK1 (0.36) ADORA1
SCHEMBL2996742 0.74 HDAC1 (0.43)
SCHEMBL2996932 0.73 CYP1A2 (0.40) ADORA2AADORA1ALDH1A1
SCHEMBL2904496 0.71 FGFR1 (0.61) 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 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