SCHEMBL11075249

SCHEMBL11075249

O=c1[nH]nc2ccccn12.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.49
ALK Q9UM73 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
RPS6KA3 P51812 1/20 0.49
MST1R Q04912 1/20 0.49
TYRO3 Q06418 1/20 0.49
DYRK1A Q13627 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ADORA3 P0DMS8 3/20 0.44
GRM2 Q14416 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL103370 0.98 LTK (0.50) LTKALKDYRK1BRETMET
SCHEMBL31397701 0.96 LTK (0.49) LTKALKDYRK1BRETMET
SCHEMBL18126808 0.73 ALDH1A1 (0.43) ADORA3KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL1818352 0.73 RET (0.50) LTKALKDYRK1BRETMET
SCHEMBL11032723 0.72 LTK (0.41) LTKALKDYRK1BRETMET
SCHEMBL3519674 0.71 KDM4E (0.50) ADORA3KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL18632535 0.71 SCN5A (0.62) LTKALKDYRK1BRETMET
SCHEMBL12090712 0.69 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GLAGAA
SCHEMBL20772757 0.69 PARP1 (0.42) LTKALKDYRK1BRETMET
SCHEMBL16439323 0.69 CHEK1 (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4465683-A TRIAZOLOPYRIDINONES MEAD JOHNSON & COMPANY (US) 1984-08-14 US disclosed
EP-0025985-B1 2-SUBSTITUTED TRIAZOLO(4,3-1)PYRIDIN-3(2H)-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DEPRESSION Bristol-Myers Company (US) 1983-11-23 EP disclosed
EP-0025603-B1 TRIAZOLO (4,3-A)PYRIDIN-3(2H)-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Bristol-Myers Company (US) 1983-11-02 EP disclosed
EP-0025603-A1 Triazolo (4,3-a)pyridin-3(2H)-ones, process for their preparation and pharmaceutical compositions containing them Bristol-Myers Company (US) 1981-03-25 EP disclosed
US-4254124-A 2-(3-(4-(TRIFLUOROMETHYLPHENYL)-PIPERAZINO)-PROPYL)-S-TRIAZOLO(4,3 -A)PYRIDIN-3-ONE MEAD JOHNSON & COMPANY (US) 1981-03-03 US disclosed