SCHEMBL1675133

SCHEMBL1675133

Cc1ccc(N(C)c2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 11/20 0.60
CLK1 P49759 6/20 0.60
CLK2 P49760 5/20 0.60
DYRK1B Q9Y463 5/20 0.60
DYRK1A Q13627 3/20 0.47
KDM4E B2RXH2 1/20 0.42
CDK2 P24941 1/20 0.42
CYP1A2 P05177 5/20 0.41
LMNA P02545 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 2/20 0.41
DPP4 P27487 2/20 0.40
GSK3B P49841 1/20 0.39
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 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
SCHEMBL1675146 0.92 CLK4 (0.50) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675096 0.91 CLK4 (0.49) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675053 0.88 CLK1 (0.64) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675291 0.87 CLK4 (0.50) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675141 0.84 CLK4 (0.66) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675230 0.83 CLK4 (0.60) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675010 0.82 CLK4 (0.43) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675012 0.82 CLK4 (0.51) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675147 0.81 CDK2 (0.48) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675109 0.81 CLK4 (0.49) CLK4CLK1CLK2DYRK1BDYRK1A

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