SCHEMBL1675221

SCHEMBL1675221

CCNC(=O)c1ccc(-c2ccc3ncnc(N(C)c4nc(C)cs4)c3c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 10/20 0.49
CLK4 Q9HAZ1 13/20 0.43
CLK2 P49760 9/20 0.43
DYRK1B Q9Y463 9/20 0.43
DYRK1A Q13627 8/20 0.43
CLK3 P49761 2/20 0.41
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PIK3C2B O00750 1/20 0.35
PIK3C2G O75747 1/20 0.35
PIK3CG P48736 1/20 0.35
MAP2K5 Q13163 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
PIP4K2C Q8TBX8 1/20 0.35
MAPK15 Q8TD08 1/20 0.35
DYRK2 Q92630 1/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL1675109 0.88 CLK4 (0.49) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675291 0.82 CLK4 (0.50) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675083 0.82 CLK4 (0.61) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675179 0.81 CLK4 (0.52) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675219 0.80 CLK4 (0.57) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675178 0.79 CLK4 (0.44) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675112 0.75 CLK1 (0.44) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675222 0.73 CLK1 (0.67) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675128 0.72 CLK4 (0.61) CLK1CLK4CLK2DYRK1BDYRK1A
SCHEMBL1675232 0.71 CLK4 (0.66) 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 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