SCHEMBL4386864

SCHEMBL4386864

CSc1cccc(C(F)(F)F)c1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.47
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31

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
SCHEMBL3742273 0.91 PTPN1 (0.36) PTPN1HTR2AHTR2CHTR2B
SCHEMBL3732360 0.87 PTPN1 (0.45) PTPN1HTR2AHTR2CHTR2B
SCHEMBL4378503 0.84 PTPN1 (0.48) PTPN1HTR2AHTR2CHTR2B
SCHEMBL4387519 0.84 PTPN1 (0.39) PTPN1HTR2AHTR2CHTR2B
SCHEMBL3739976 0.84 PTPN1 (0.32) PTPN1HTR2AHTR2CHTR2B
SCHEMBL3734730 0.82 PTPN1 (0.41) PTPN1
SCHEMBL4535079 0.82 PTPN1 (0.37) PTPN1HTR2AHTR2CHTR2B
SCHEMBL4379622 0.81 PTPN1 (0.37) PTPN1HTR2AHTR2CHTR2B
SCHEMBL4384579 0.81 PTPN1 (0.37) PTPN1HTR2AHTR2CHTR2B
SCHEMBL3732060 0.81 PTPN1 (0.52) PTPN1HTR2AHTR2CHTR2B

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