SCHEMBL1675174

SCHEMBL1675174

Cc1ccc(CNc2ncnc3ccc(-c4ccoc4C)cc23)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 1.00
LMNA P02545 7/20 0.67
TDP1 Q9NUW8 1/20 0.67
CLK4 Q9HAZ1 13/20 0.66
CLK2 P49760 7/20 0.66
DYRK1B Q9Y463 7/20 0.66
DYRK1A Q13627 5/20 0.64
MAPK1 P28482 4/20 0.57
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CLK3 P49761 2/20 0.53
ALDH1A1 P00352 3/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48

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
SCHEMBL1675189 0.82 CLK1 (0.69) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675234 0.80 CLK4 (1.00) CLK1LMNATDP1CLK4CLK2
SCHEMBL29520104 0.80 CLK4 (1.00) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675338 0.79 CLK1 (0.66) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675084 0.79 MAPK1 (0.76) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675006 0.78 CLK1 (0.71) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675016 0.78 CLK4 (0.84) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675204 0.77 CLK1 (0.71) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675135 0.77 LMNA (0.64) CLK1LMNATDP1CLK4CLK2
SCHEMBL1675150 0.77 CLK4 (0.76) CLK1LMNATDP1CLK4CLK2

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