SCHEMBL17433007

SCHEMBL17433007

NC(=O)c1cccn2c(=O)[nH]nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
ALK Q9UM73 2/20 0.53
RET P07949 2/20 0.53
MST1R Q04912 2/20 0.53
LRRK2 Q5S007 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
MET P08581 1/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
RPS6KA3 P51812 1/20 0.53
TYRO3 Q06418 1/20 0.53
DYRK1A Q13627 1/20 0.53
CHEK1 O14757 2/20 0.52
DAPK3 O43293 2/20 0.52
KDR P35968 2/20 0.52
ROCK1 Q13464 2/20 0.52
ABL1 P00519 1/20 0.52
PRKACA P17612 1/20 0.52
LIMK1 P53667 1/20 0.52

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
SCHEMBL17403264 0.78 LTK (0.44) LTKDYRK1BALKRETMST1R
SCHEMBL13824876 0.76 CHEK1 (0.62) LTKDYRK1BALKRETMST1R
SCHEMBL1855620 0.74 LTK (0.60) LTKDYRK1BALKRETMST1R
SCHEMBL17408735 0.73 LTK (0.58) LTKDYRK1BALKRETMST1R
SCHEMBL20775937 0.73 LTK (0.58) LTKDYRK1BALKRETMST1R
SCHEMBL20772869 0.73 LTK (0.58) LTKDYRK1BALKRETMST1R
SCHEMBL1585160 0.73 CLK4 (0.58) LTKDYRK1BALKRETMST1R
SCHEMBL17403245 0.72 LTK (0.47) LTKDYRK1BALKRETMST1R
SCHEMBL24665999 0.72 LTK (0.54) LTKDYRK1BALKRETMST1R
SCHEMBL17403241 0.71 LTK (0.46) LTKDYRK1BALKRETMST1R

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
WO-2016005330-A1 DIHYDROPYRIDOPYRAZINE-1,8-DIONES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2016-01-14 WO disclosed