SCHEMBL1675188

SCHEMBL1675188

CN(c1ncnc2ccc(-c3ccc(CCO)o3)cc12)C1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 12/20 0.46
CLK1 P49759 5/20 0.46
CLK2 P49760 4/20 0.46
DYRK1B Q9Y463 4/20 0.46
DYRK1A Q13627 4/20 0.46
PI4KB Q9UBF8 1/20 0.38
CDK2 P24941 1/20 0.38
LMNA P02545 6/20 0.36
CYP1A2 P05177 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 4/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2D6 P10635 3/20 0.36
HIF1A Q16665 2/20 0.36
CLK3 P49761 1/20 0.36
CSF1R P07333 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1675212 0.92 CLK4 (0.54) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675187 0.84 CLK4 (0.39) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1674991 0.83 CLK4 (0.47) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675112 0.81 CLK1 (0.44) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675190 0.76 CLK4 (0.63) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675012 0.75 CLK4 (0.51) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675179 0.72 CLK4 (0.52) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675098 0.71 CLK4 (0.86) CLK4CLK1CLK2DYRK1BDYRK1A
SCHEMBL1675254 0.69 PI4KB (0.58) CLK4PI4KBLMNACYP1A2ALDH1A1
SCHEMBL1675215 0.68 CLK4 (0.65) 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