SCHEMBL1675220

SCHEMBL1675220

Cc1nc(CN(C)c2ncnc3cc(-c4ccc5c(c4)OCO5)ccc23)cs1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 18/20 0.86
CLK1 P49759 12/20 0.86
DYRK1A Q13627 12/20 0.86
CLK2 P49760 11/20 0.86
DYRK1B Q9Y463 11/20 0.86
CLK3 P49761 8/20 0.86
PIP4K2C Q8TBX8 2/20 0.86
PIK3C2B O00750 1/20 0.86
PIK3C2G O75747 1/20 0.86
PIK3CG P48736 1/20 0.86
MAP2K5 Q13163 1/20 0.86
MAP3K19 Q56UN5 1/20 0.86
MAPK15 Q8TD08 1/20 0.86
DYRK2 Q92630 1/20 0.86
TDP1 Q9NUW8 1/20 0.58
CDK2 P24941 1/20 0.55
HSD17B10 Q99714 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 5/20 0.53

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
SCHEMBL1675195 0.92 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675503 0.86 CLK4 (0.75) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675361 0.83 CLK4 (0.83) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675101 0.78 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675070 0.74 CLK4 (0.67) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675159 0.74 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675241 0.74 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675369 0.73 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675158 0.73 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675182 0.73 CLK4 (0.67) CLK4CLK1DYRK1ACLK2DYRK1B

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