SCHEMBL4375123

SCHEMBL4375123

CN1C(N)=Nc2nc(-c3c(Oc4ccc(F)cc4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
LTA4H P09960 1/20 0.34
PTGS2 P35354 1/20 0.34
SCN9A Q15858 2/20 0.33
CHEK2 O96017 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SCN4A P35499 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL4373575 0.93 PTPN1 (0.43) PTPN1LTA4HPTGS2DHFR
SCHEMBL4389955 0.93 PTPN1 (0.51) PTPN1LTA4HPTGS2EGLN1
SCHEMBL4384842 0.92 PTPN1 (0.42) PTPN1SCN9A
SCHEMBL4386942 0.89 PTPN1 (0.40) PTPN1
SCHEMBL4378695 0.87 PTPN1 (0.41) PTPN1
SCHEMBL4378503 0.87 PTPN1 (0.48) PTPN1
SCHEMBL3742273 0.85 PTPN1 (0.36) PTPN1
SCHEMBL4379622 0.84 PTPN1 (0.37) PTPN1
SCHEMBL4384579 0.84 PTPN1 (0.37) PTPN1SCN9A
SCHEMBL3732360 0.84 PTPN1 (0.45) PTPN1SCN9A

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 1 patent. 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