SCHEMBL1675111

SCHEMBL1675111

CCNC(=O)c1ccc(-c2ccc3ncnc(NCC4CCCO4)c3c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 7/20 0.57
CLK1 P49759 6/20 0.57
CLK2 P49760 6/20 0.57
DYRK1B Q9Y463 6/20 0.57
DYRK1A Q13627 4/20 0.57
CLK3 P49761 1/20 0.57
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAP4K4 O95819 1/20 0.44
TNK2 Q07912 2/20 0.43

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
SCHEMBL1674989 0.88 CLK4 (0.62) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675215 0.82 CLK4 (0.65) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675232 0.81 CLK4 (0.66) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675112 0.80 CLK1 (0.44) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675190 0.80 CLK4 (0.63) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675287 0.79 CLK4 (0.79) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675128 0.77 CLK4 (0.61) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1674969 0.76 CLK4 (0.68) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675219 0.76 CLK4 (0.57) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675356 0.75 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