SCHEMBL1675182

SCHEMBL1675182

COc1ccc(-c2ccc3ncnc(N(C)Cc4csc(C)n4)c3c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 14/20 0.67
CLK1 P49759 11/20 0.67
CLK2 P49760 8/20 0.67
DYRK1A Q13627 8/20 0.67
DYRK1B Q9Y463 8/20 0.67
CLK3 P49761 5/20 0.67
PIK3CG P48736 2/20 0.67
PIP4K2C Q8TBX8 2/20 0.67
PIK3C2B O00750 1/20 0.67
PIK3C2G O75747 1/20 0.67
MAP2K5 Q13163 1/20 0.67
MAP3K19 Q56UN5 1/20 0.67
MAPK15 Q8TD08 1/20 0.67
DYRK2 Q92630 1/20 0.67
LMNA P02545 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 5/20 0.47
TSHR P16473 5/20 0.47
CYP2C19 P33261 5/20 0.47

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
SCHEMBL1675173 0.92 CLK4 (0.65) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675195 0.80 CLK4 (1.00) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL20063234 0.80 CLK4 (0.64) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675503 0.77 CLK4 (0.75) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4353745 0.77 CYP1A2 (0.70) CLK4PIK3CGLMNACYP1A2CYP3A4
SCHEMBL1675220 0.73 CLK4 (0.86) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL1675361 0.71 CLK4 (0.83) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4355365 0.71 CSF1R (0.73) PIK3CGLMNACYP1A2CYP3A4CYP2D6
SCHEMBL182771 0.68 PIK3CD (0.73) CLK4PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3337591 0.68 PIK3CA (0.62) CLK4PIK3CGPIK3CDPIK3CAPIK3CB

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