SCHEMBL1675145

SCHEMBL1675145

CN(CCc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 19/20 0.82
CLK1 P49759 10/20 0.82
CLK2 P49760 10/20 0.82
DYRK1A Q13627 10/20 0.82
DYRK1B Q9Y463 10/20 0.82
CLK3 P49761 7/20 0.82
CYP1A2 P05177 7/20 0.82
CYP3A4 P08684 7/20 0.82
CYP2D6 P10635 7/20 0.82
CYP2C19 P33261 7/20 0.82
TSHR P16473 6/20 0.82
ALDH1A1 P00352 6/20 0.82
HSD17B10 Q99714 6/20 0.82
LMNA P02545 5/20 0.82
MAPK1 P28482 4/20 0.82
CYP2C9 P11712 2/20 0.82
KDM4E B2RXH2 2/20 0.82
HPGD P15428 2/20 0.82
HIF1A Q16665 2/20 0.63
CDK2 P24941 1/20 0.61

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
SCHEMBL1675319 0.90 CLK4 (1.00) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675074 0.83 CLK4 (0.74) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675237 0.82 CLK4 (0.85) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675075 0.81 CLK4 (0.77) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675305 0.80 CLK4 (0.62) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675327 0.79 CLK4 (1.00) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675361 0.78 CLK4 (0.83) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675099 0.78 CLK4 (0.60) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675216 0.78 CLK4 (0.66) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675316 0.76 CLK4 (0.69) CLK4CLK1CLK2DYRK1ADYRK1B

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