SCHEMBL4447459

SCHEMBL4447459

COC(C)c1ncc2[nH]cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CDK2 P24941 6/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PAK1 Q13153 1/20 0.37
POLA1 P09884 1/20 0.35
CDK1 P06493 5/20 0.33
CCNB1 P14635 5/20 0.33
CCNT1 O60563 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
CCNA2 P20248 4/20 0.33
CCNA1 P78396 4/20 0.33
MAP3K7 O43318 1/20 0.32
MAP3K6 O95382 1/20 0.32
MAP3K5 Q99683 1/20 0.32
PDPK1 O15530 1/20 0.31
MMP12 P39900 1/20 0.30
TP53 P04637 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
SCHEMBL3578267 0.82 ALDH1A1 (0.53) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL31058752 0.79 KDM4E (0.50) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL4969622 0.76 KDM4E (0.38) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL2640836 0.74 ALDH1A1 (0.53) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL375956 0.72 ALDH1A1 (0.59) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL1398871 0.72 ALDH1A1 (0.53) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL7165321 0.71 PDPK1 (0.53) CDK2CDK1CCNB1CCNA2CCNA1
Ammonia Solution, Strong SCHEMBL27309824 0.71 ALDH1A1 (0.57) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL7943075 0.68 KDM4E (0.41) KDM4EALDH1A1CDK2RXFP1PAK1
SCHEMBL30020945 0.68 ALDH1A1 (0.49) KDM4EALDH1A1CDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131848-A2 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALY ACTIVE MOLECULES Merck & Co., Inc. (US) 2009-12-16 EP disclosed
WO-2008103276-A2 COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALY ACTIVE MOLECULES MERCK & CO., INC. (US) 2008-08-28 WO disclosed
EP-1951873-A2 RNA INTERFERENCE MEDIATED INHIBITION OF INFLUENZA VIRUS GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID Sirna Therapeutics, Inc. (US) 2008-08-06 EP disclosed
EP-1931781-A2 CHEMICALLY MODIFIED SHORT INTERFERING NUCLEIC ACID MOLECULES THAT MEDIATE RNA INTERFERENCE Sirna Therapeutics, Inc. (US) 2008-06-18 EP disclosed
WO-2008030239-A1 RNA INTERFERENCE MEDIATED INHIBITION OF HISTONE DEACETYLASE (HDAC) GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2008-03-13 WO disclosed
EP-1891217-A2 RNA INTERFERENCE MEDIATED INHIBITION OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1) GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (SINA) Sirna Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2008011467-A2 RNA INTERFERENCE MEDIATED INHIBITION OF STEROL REGULATORY ELEMENT-BINDING PROTEIN 1 (SREBP1) GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (SINA) SIRNA THERAPEUTICS INC. (US) 2008-01-24 WO disclosed
WO-2007120527-A2 RNA INTERFERENCE MEDIATED INHIBITION OF RESPIRATORY SYNCYTIAL VIRUS (RSV) EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (SINA) SIRNA THERAPEUTICS INC. (US) 2007-10-25 WO disclosed
WO-2007092059-A2 RNA INTERFERENCE MEDIATED INHIBITION OF INFLUENZA VIRUS GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID SIRNA THERAPEUTICS, INC. (US) 2007-08-16 WO disclosed
WO-2007084865-A2 RNA INTERFERENCE MEDIATED INHIBITION OF B7-H1 GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007022369-A2 CHEMICALLY MODIFIED SHORT INTERFERING NUCLEIC ACID MOLECULES THAT MEDIATE RNA INTERFERENCE SIRNA THERAPEUTICS, INC. (US) 2007-02-22 WO disclosed
WO-2006128141-A2 RNA INTERFERENCE MEDIATED INHIBITION OF STROMAL CELL-DERIVED FACTOR-1 (SDF-1) GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (SINA) SIRNA THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
EP-1675949-A2 RNA INTERFERENCE MEDIATED INHIBITION OF NOGO AND NOGO RECEPTOR GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) Sirna Therapeutics, Inc. (US) 2006-07-05 EP disclosed
WO-2005045035-A2 RNA INTERFERENCE MEDIATED INHIBITION OF NOGO AND NOGO RECEPTOR GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2005-05-19 WO disclosed
WO-2005014811-A2 RNA INTERFERENCE MEDIATED INHIBITION OF XIAP GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2005-02-17 WO disclosed
WO-2005007855-A2 RNA INTERFERENCE MEDIATED INHIBITION OF B7-H1 GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2005-01-27 WO disclosed
WO-2004111237-A1 RNA INTERFERENCE MEDIATED INHIBITION OF PLATELET-DERIVED ENDOTHELIAL CELL GROWTH FACTOR (ECGF1) GENE EXPRESSION USING SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2004-12-23 WO disclosed
WO-2004097020-A2 RNA INTERFERENCE MEDIATED INHIBITION OF MAP KINASE GENE EXPRESSION SIRNA THERAPEUTICS, INC. (US) 2004-11-11 WO disclosed