SCHEMBL1675136

SCHEMBL1675136

Cc1ccc(CNc2ncnc3ccc(-c4oc(-c5ccccc5)nc4C)cc23)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.61
TDP1 Q9NUW8 1/20 0.61
CLK4 Q9HAZ1 10/20 0.61
CLK1 P49759 5/20 0.61
CLK2 P49760 4/20 0.61
DYRK1B Q9Y463 4/20 0.61
DYRK1A Q13627 2/20 0.59
MAPK1 P28482 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 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
SCHEMBL1675022 0.83 CLK1 (0.64) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675283 0.82 CLK4 (0.56) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675135 0.77 LMNA (0.64) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675348 0.77 DYRK1A (0.43) LMNACLK4DYRK1AMAPK1SMN1; SMN2
SCHEMBL1675234 0.76 CLK4 (1.00) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675189 0.76 CLK1 (0.69) LMNATDP1CLK4CLK1CLK2
SCHEMBL29520104 0.76 CLK4 (1.00) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675174 0.75 CLK1 (1.00) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675084 0.75 MAPK1 (0.76) LMNATDP1CLK4CLK1CLK2
SCHEMBL1675131 0.74 CLK4 (1.00) LMNATDP1CLK4CLK1CLK2

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