SCHEMBL1675152

SCHEMBL1675152

O=C(O)c1ccc(-c2ccc3ncnc(NCc4nccs4)c3c2)o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 18/20 0.75
CLK1 P49759 7/20 0.67
CLK2 P49760 6/20 0.67
DYRK1B Q9Y463 6/20 0.67
DYRK1A Q13627 8/20 0.60
CLK3 P49761 1/20 0.59
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
MAPK1 P28482 3/20 0.45
CYP2C19 P33261 3/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 2/20 0.45
APEX1 P27695 1/20 0.45
CASP7 P55210 1/20 0.45
PDE5A O76074 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1675128 0.88 CLK4 (0.61) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675107 0.87 CLK4 (0.70) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675052 0.85 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675203 0.85 CLK4 (0.73) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675108 0.83 CLK4 (0.62) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675131 0.80 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675210 0.79 CLK4 (0.70) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675219 0.77 CLK4 (0.57) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675337 0.75 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1674989 0.74 CLK4 (0.62) 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