SCHEMBL1675347

SCHEMBL1675347

CC(Nc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 16/20 0.65
CLK1 P49759 11/20 0.65
DYRK1A Q13627 10/20 0.65
CLK2 P49760 9/20 0.65
DYRK1B Q9Y463 9/20 0.65
CLK3 P49761 8/20 0.65
CYP2D6 P10635 9/20 0.65
CYP1A2 P05177 8/20 0.65
CYP3A4 P08684 8/20 0.65
CYP2C19 P33261 7/20 0.65
LMNA P02545 7/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TSHR P16473 8/20 0.60
HSD17B10 Q99714 7/20 0.60
MAPK1 P28482 6/20 0.60
CYP2C9 P11712 6/20 0.60
KDM4E B2RXH2 5/20 0.60
USP2 O75604 4/20 0.60
MAPT P10636 4/20 0.60

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
SCHEMBL1675216 0.79 CLK4 (0.66) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675251 0.79 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675327 0.78 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675312 0.78 CLK4 (0.67) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675362 0.76 CLK1 (0.82) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675243 0.74 CLK1 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675357 0.74 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675330 0.73 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675082 0.73 CLK4 (1.00) CLK4CLK1DYRK1ACLK2DYRK1B
SCHEMBL1675329 0.71 CLK4 (0.91) CLK4CLK1DYRK1ACLK2DYRK1B

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