SCHEMBL1674989

SCHEMBL1674989

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.62
CLK1 P49759 7/20 0.62
CLK2 P49760 7/20 0.62
DYRK1B Q9Y463 7/20 0.62
DYRK1A Q13627 5/20 0.62
CLK3 P49761 3/20 0.62
AURKA O14965 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MAP4K4 O95819 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCAR3 P49019 1/20 0.44
TNK2 Q07912 4/20 0.44

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
SCHEMBL1675111 0.88 CLK4 (0.57) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675215 0.85 CLK4 (0.65) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675190 0.84 CLK4 (0.63) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675210 0.78 CLK4 (0.70) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1674969 0.78 CLK4 (0.68) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675200 0.77 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675197 0.77 CLK4 (1.00) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL14595538 0.76 CLK1 (0.66) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL13283132 0.76 CLK1 (0.66) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675211 0.76 CLK4 (0.66) 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