SCHEMBL48131

SCHEMBL48131

CC(C(=O)O)c1nc(N)c2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
GDA Q9Y2T3 1/20 0.50
CYP1A2 P05177 1/20 0.49
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
CCNA2 P20248 5/20 0.41
CDK2 P24941 5/20 0.41
CCNA1 P78396 5/20 0.41
MGMT P16455 2/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
DPP4 P27487 1/20 0.41
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
LMNA P02545 1/20 0.40
DRD3 P35462 1/20 0.40
XDH P47989 1/20 0.40
LRRK2 Q5S007 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
SCHEMBL9081426 0.82 PDPK1 (0.46) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL542009 0.81 PDPK1 (0.59) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL29721618 0.78 PDPK1 (0.56) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL5509118 0.78 PDPK1 (0.56) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL28004538 0.77 PDPK1 (0.54) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL48130 0.77 CYP1A2 (0.35) GDACYP1A2
SCHEMBL30583189 0.76 GDA (0.46) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL7165321 0.76 PDPK1 (0.53) PDPK1GDACDK1CCNB1CCNA2
SCHEMBL13269009 0.75 PDPK1 (0.49) PDPK1GDACYP1A2CDK1CCNB1
SCHEMBL13268765 0.75 PDPK1 (0.49) PDPK1GDACYP1A2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2028272-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2014-01-08 EP disclosed
US-8129115-B2 Method of modifying nucleotide chain PANASONIC CORPORATION (JP) 2012-03-06 US disclosed
US-20100291637-A1 METHOD FOR MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-11-18 US disclosed
US-20100015670-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORPORATION (JP) 2010-01-21 US disclosed
EP-1647592-B1 METHOD OF MODIFYING NUCLEOTIDE CHAIN PANASONIC CORP (JP) 2009-03-11 EP disclosed
EP-2028272-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN Panasonic Corporation (JP) 2009-02-25 EP disclosed
US-20070077629-A1 Method for modifying nucleotide chain PANASONIC CORPORATION (JP) 2007-04-05 US disclosed
EP-1647592-A1 METHOD OF MODIFYING NUCLEOTIDE CHAIN MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2006-04-19 EP disclosed