SCHEMBL13824974

SCHEMBL13824974

O=c1[nH]nc2c([N+](=O)[O-])cccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.53
ALK Q9UM73 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
RET P07949 1/20 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
MST1R Q04912 1/20 0.53
TYRO3 Q06418 1/20 0.53
DYRK1A Q13627 1/20 0.53
LRRK2 Q5S007 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49
ABL1 P00519 1/20 0.49
PRKACA P17612 1/20 0.49
KDR P35968 1/20 0.49
LIMK1 P53667 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL1855620 0.74 LTK (0.60) LTKALKDYRK1BRETMET
SCHEMBL20775937 0.73 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL1585160 0.73 CLK4 (0.58) LTKALKDYRK1BRETMET
SCHEMBL17408735 0.73 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL20772869 0.73 LTK (0.58) LTKALKDYRK1BRETMET
SCHEMBL13824875 0.72 GSK3A (0.42) KDM4ECYP3A4TSHRGSK3AGSK3B
SCHEMBL1534586 0.69 LTK (0.54) LTKALKDYRK1BRETMET
SCHEMBL20774148 0.69 LTK (0.54) LTKALKDYRK1BRETMET
SCHEMBL12510368 0.69 TDP1 (0.44) MEN1KMT2ATDP1MAPTAPEX1
SCHEMBL18632519 0.69 LTK (1.00) LTKALKDYRK1BRETMET

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-2012150829-A2 NOBLE TRIAZOLOPYRIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 제일약품주식회사 (KR) 2012-11-08 WO disclosed