SCHEMBL13337873

SCHEMBL13337873

Nc1ncnc2c1c(I)nn2[C@H]1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 11/20 0.71
ADK P55263 7/20 0.65
DYRK3 O43781 2/20 0.65
CDK1 P06493 2/20 0.65
ROS1 P08922 2/20 0.65
RPS6KB1 P23443 2/20 0.65
CDK2 P24941 2/20 0.65
CSNK1A1 P48729 2/20 0.65
CSNK1D P48730 2/20 0.65
CLK2 P49760 2/20 0.65
IRAK1 P51617 2/20 0.65
CDK5 Q00535 2/20 0.65
DYRK1A Q13627 2/20 0.65
NTRK3 Q16288 2/20 0.65
SLK Q9H2G2 2/20 0.65
CLK4 Q9HAZ1 2/20 0.65
DOT1L Q8TEK3 1/20 0.65
DCLK1 O15075 1/20 0.65
DAPK3 O43293 1/20 0.65
FLT3 P36888 1/20 0.65

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
SCHEMBL533179 1.00 ATG7 (0.71) ATG7ADKDYRK3CDK1ROS1
SCHEMBL2909424 1.00 ATG7 (0.71) ATG7ADKDYRK3CDK1ROS1
SCHEMBL20141774 1.00 ATG7 (0.71) ATG7ADKDYRK3CDK1ROS1
SCHEMBL20142486 1.00 ATG7 (0.71) ATG7ADKDYRK3CDK1ROS1
SCHEMBL14038325 0.87 ATG7 (0.57) ATG7
SCHEMBL2908818 0.86 ATG7 (0.55) ATG7ADKDYRK3CDK1ROS1
SCHEMBL12762314 0.85 ATG7 (0.54) ATG7
SCHEMBL20142123 0.84 ATG7 (0.74) ATG7
SCHEMBL20141551 0.84 ATG7 (0.74) ATG7
SCHEMBL22758711 0.84 ATG7 (1.00) ATG7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed