SCHEMBL4945758

SCHEMBL4945758

CC(=O)Nc1nc(-c2ncc[nH]2)c2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.50
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
NEK2 P51955 1/20 0.41
PDPK1 O15530 5/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
SRC P12931 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
JAK2 O60674 1/20 0.35
FLT3 P36888 1/20 0.35
MGMT P16455 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL750335 0.76 GDA (0.55) GDAPIK3CAMTORNEK2BRAF
SCHEMBL887125 0.76 GDA (0.55) GDAPIK3CAMTORNEK2BRAF
SCHEMBL31506448 0.76 GDA (0.55) GDAPIK3CAMTORNEK2BRAF
SCHEMBL5197101 0.75 GDA (0.54) GDAPIK3CAMTORNEK2BRAF
SCHEMBL14938904 0.75 GDA (0.54) GDANEK2PDPK1BRAFKDR
SCHEMBL4943558 0.72 PDPK1 (0.54) GDAPDPK1MGMTCDK1CCNB1
SCHEMBL3786829 0.69 GDA (0.44) GDAPIK3CAMTORNEK2BRAF
SCHEMBL1906545 0.69
SCHEMBL219478 0.67 GDA (1.00) GDAKDM4E
SCHEMBL4946019 0.67 PI4KA (0.47) PDPK1CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1895841-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES Brigham Young University (US) 2008-03-12 EP disclosed
WO-2006138396-A2 METHODS FOR SELECTIVE N-9 GLYCOSYLATION OF PURINES BRIGHAM YOUNG UNIVERSITY, TRANSFER TECHNOLOGY OFFICE (US) 2006-12-28 WO disclosed