SCHEMBL1675124

SCHEMBL1675124

CCOC(=O)c1ccc(-c2ccc3ncnc(N(C)c4cccs4)c3c2)o1.COc1cc(-c2ccc3ncnc(N(C)Cc4csc(C)n4)c3c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 12/20 0.57
CLK4 Q9HAZ1 16/20 0.50
CLK2 P49760 9/20 0.50
DYRK1A Q13627 9/20 0.50
DYRK1B Q9Y463 9/20 0.50
CLK3 P49761 4/20 0.46
PIK3C2B O00750 1/20 0.46
PIK3C2G O75747 1/20 0.46
PIK3CG P48736 1/20 0.46
MAP2K5 Q13163 1/20 0.46
MAP3K19 Q56UN5 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
MAPK15 Q8TD08 1/20 0.46
DYRK2 Q92630 1/20 0.46
USP2 O75604 4/20 0.36
LMNA P02545 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
TSHR P16473 4/20 0.36

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
SCHEMBL1675336 0.84 CLK1 (0.68) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675173 0.80 CLK4 (0.65) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675222 0.77 CLK1 (0.67) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675182 0.74 CLK4 (0.67) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675177 0.74 CLK1 (1.00) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675242 0.73 CLK1 (0.73) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675223 0.71 CLK4 (0.73) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675053 0.70 CLK1 (0.64) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675115 0.69 CLK1 (0.61) CLK1CLK4CLK2DYRK1ADYRK1B
SCHEMBL1675047 0.68 CLK4 (0.63) CLK1CLK4CLK2DYRK1ADYRK1B

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 disclosed