SCHEMBL6897929

SCHEMBL6897929

CCCCCCCCOc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.63
CCNB1 P14635 8/20 0.63
CCNA2 P20248 7/20 0.60
CDK2 P24941 7/20 0.60
CCNA1 P78396 7/20 0.60
PIN1 Q13526 1/20 0.55
PDPK1 O15530 1/20 0.49
GDA Q9Y2T3 1/20 0.49
POLA1 P09884 1/20 0.48
XDH P47989 4/20 0.43
TLR7 Q9NYK1 5/20 0.41
PAK1 Q13153 1/20 0.40

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
SCHEMBL1146063 0.94 CDK1 (0.61) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28091022 0.83 PDPK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL2060155 0.82 PDPK1 (0.51) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL27818523 0.82 PDPK1 (0.54) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8207461 0.80 CDK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL30610405 0.78 CDK1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6897931 0.77 CDK1 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL453220 0.77 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29387231 0.77 PDPK1 (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28299226 0.77 POLA1 (0.53) CDK1CCNB1CCNA2CDK2CCNA1

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