SCHEMBL6897931

SCHEMBL6897931

CCCCCCCCOc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
NOS1 P29475 1/20 0.40
TLR7 Q9NYK1 7/20 0.39
PIN1 Q13526 1/20 0.39
MCHR1 Q99705 2/20 0.38
TLR8 Q9NR97 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL1146060 0.94 CDK1 (0.43) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL20756902 0.90 CDK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL12305222 0.84 TLR7 (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19539317 0.83 ADORA2A (0.36) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2058723 0.82 TLR7 (0.46) TLR7
SCHEMBL8207458 0.78 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL15432582 0.77 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6897929 0.77 CDK1 (0.63) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL17802592 0.77 ADORA2A (0.44) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL453219 0.77 ABL1 (0.34) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed
EP-0604409-A4 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION. ISIS PHARMACEUTICALS INC (US) 1996-06-12 EP disclosed
EP-0604409-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1994-07-06 EP disclosed
WO-1991010671-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1991-07-25 WO disclosed