SCHEMBL1675336

SCHEMBL1675336

CCOC(=O)c1ccc(-c2ccc3ncnc(N(C)c4cccs4)c3c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 10/20 0.68
CLK4 Q9HAZ1 15/20 0.65
CLK2 P49760 8/20 0.65
DYRK1B Q9Y463 8/20 0.65
DYRK1A Q13627 8/20 0.65
ERN1 O75460 1/20 0.41
CLK3 P49761 3/20 0.40
LMNA P02545 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
USP2 O75604 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2D6 P10635 4/20 0.39
MAPK1 P28482 4/20 0.39
CYP2C19 P33261 4/20 0.39
HSD17B10 Q99714 3/20 0.39
APEX1 P27695 1/20 0.39
CASP7 P55210 1/20 0.39
CDK2 P24941 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL1675124 0.84 CLK1 (0.57) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675222 0.83 CLK1 (0.67) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675053 0.83 CLK1 (0.64) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675115 0.82 CLK1 (0.61) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675047 0.81 CLK4 (0.63) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675177 0.81 CLK1 (1.00) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675242 0.80 CLK1 (0.73) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675337 0.79 CLK4 (1.00) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675151 0.79 CLK4 (0.46) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675109 0.71 CLK4 (0.49) CLK1CLK4CLK2DYRK1BDYRK1A

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-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