SCHEMBL1675223

SCHEMBL1675223

CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4csc(C)n4)c3c2)o1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 14/20 0.73
CLK1 P49759 9/20 0.73
CLK2 P49760 6/20 0.73
DYRK1B Q9Y463 6/20 0.73
DYRK1A Q13627 6/20 0.73
CLK3 P49761 1/20 0.57
PIP4K2C Q8TBX8 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PDE5A O76074 1/20 0.47
ERN1 O75460 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL1675337 0.84 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675054 0.83 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675225 0.83 CLK4 (0.69) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675116 0.80 CLK4 (0.72) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675222 0.79 CLK1 (0.67) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675185 0.77 CLK4 (0.65) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675107 0.76 CLK4 (0.70) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675219 0.75 CLK4 (0.57) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675127 0.74 CLK1 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675006 0.74 CLK1 (0.71) CLK4CLK1CLK2DYRK1BDYRK1A

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
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO claimed
WO-2011041655-A1 QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-04-07 WO disclosed