SCHEMBL1675151

SCHEMBL1675151

CC(O)c1ccc(-c2ccc3ncnc(N(C)c4cccs4)c3c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 16/20 0.46
DYRK1A Q13627 7/20 0.46
CLK1 P49759 7/20 0.46
CLK2 P49760 6/20 0.46
DYRK1B Q9Y463 6/20 0.46
CLK3 P49761 3/20 0.41
CYP1A2 P05177 11/20 0.39
CYP3A4 P08684 11/20 0.39
CYP2D6 P10635 9/20 0.39
CYP2C19 P33261 7/20 0.39
ALDH1A1 P00352 6/20 0.39
LMNA P02545 6/20 0.39
MAPK1 P28482 5/20 0.39
TSHR P16473 5/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.38
CDK2 P24941 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1675105 0.85 CLK4 (0.48) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675047 0.85 CLK4 (0.63) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675178 0.80 CLK4 (0.44) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675010 0.80 CLK4 (0.43) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675336 0.79 CLK1 (0.68) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675097 0.77 CLK4 (0.77) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675187 0.73 CLK4 (0.39) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675201 0.69 CLK4 (0.67) CLK4DYRK1ACLK1CLK2DYRK1B
SCHEMBL1675252 0.67 CLK4 (0.60) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1675083 0.65 CLK4 (0.61) CLK4DYRK1ACLK1CLK2DYRK1B

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