SCHEMBL4373580

SCHEMBL4373580

CN1C(N)=Nc2nc(-c3c(OC4CCCCC4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.36
PTPN1 P18031 3/20 0.35
SCD O00767 7/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4386872 0.87 MCHR1 (0.36) MCHR1
SCHEMBL4378503 0.85 PTPN1 (0.48) PTPN1
SCHEMBL3742273 0.84 PTPN1 (0.36) PTPN1
SCHEMBL4379622 0.83 PTPN1 (0.37) MCHR1PTPN1
SCHEMBL4384579 0.83 PTPN1 (0.37) PTPN1
SCHEMBL4380448 0.83 LTA4H (0.43) MCHR1
SCHEMBL4389955 0.82 PTPN1 (0.51) PTPN1
SCHEMBL4386942 0.81 PTPN1 (0.40) PTPN1
SCHEMBL4375123 0.81 PTPN1 (0.44) PTPN1
SCHEMBL4384328 0.81 PTPN1 (0.36) MCHR1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP claimed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO claimed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed