SCHEMBL5705455

SCHEMBL5705455

CC(=O)OC(C)c1ncnc(NCCc2ccccc2)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
HTT P42858 3/20 0.43
EGFR P00533 2/20 0.43
LMNA P02545 2/20 0.43
APP P05067 1/20 0.43
POLB P06746 1/20 0.43
ACACB O00763 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC29A1 Q99808 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
AURKA O14965 2/20 0.40
TMIGD3 P0DMS9 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ACHE P22303 1/20 0.40
ADORA2B P29275 1/20 0.40
FYN P06241 1/20 0.39

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
SCHEMBL5705471 0.85 VNN1 (0.40) HTTACACBHDAC3HDAC1HDAC2
SCHEMBL5705416 0.82 MAPK1 (0.50) MAPK1HTTEGFRLMNAAPP
SCHEMBL5705464 0.81 MAPK1 (0.51) MAPK1HTTEGFRLMNAAPP
SCHEMBL5705480 0.80 MAPK1 (0.50) MAPK1HTTEGFRLMNAAPP
SCHEMBL7245574 0.77 POLB (0.47) MAPK1HTTEGFRLMNAAPP
SCHEMBL9038157 0.77 GALR3 (0.50) HTTLMNAPOLBAURKAMEN1
SCHEMBL9037904 0.73 GALR3 (0.46) HTTLMNAAURKANPC1NR2F2
SCHEMBL9038563 0.72 HTT (0.40) HTTLMNAACACBAURKAMEN1
SCHEMBL9038109 0.70 HTT (0.50) MAPK1HTTEGFRLMNAAPP
SCHEMBL5705465 0.70 HTR7 (0.46) MAPK1HTTEGFRLMNAAPP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074546-B1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2006-09-06 EP claimed
US-6521627-B1 Insecticidal, acaricidal, nematocidal and fungicidal activities UBE INDUSTRIES, LTD. (JP) 2003-02-18 US claimed
EP-1074546-A1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES Ube Industries, Ltd. (JP) 2001-02-07 EP claimed
EP-1074546-B1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES UBE INDUSTRIES (JP) 2006-09-06 EP disclosed
US-6521627-B1 Insecticidal, acaricidal, nematocidal and fungicidal activities UBE INDUSTRIES, LTD. (JP) 2003-02-18 US disclosed
EP-1074546-A1 5-IODO-4-PHENETHYLAMINOPYRIMIDINE DERIVATIVES, INTERMEDIATES THEREOF, PROCESS FOR PRODUCING THE SAME AND AGRICULTURAL/HORTICULTURAL PESTICIDES Ube Industries, Ltd. (JP) 2001-02-07 EP disclosed