SCHEMBL4381287

SCHEMBL4381287

CN(C)CCOc1cccc(C(F)(F)F)c1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 2/20 0.36
HTR7 P34969 2/20 0.35
PTPN1 P18031 2/20 0.35
NOS3 P29474 8/20 0.34
NOS1 P29475 8/20 0.34
NOS2 P35228 6/20 0.34
HTR1B P28222 1/20 0.34
DRD2 P14416 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TIPARP Q7Z3E1 1/20 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
SCHEMBL4384328 0.90 PTPN1 (0.36) CTSSCTSKPTPN1DRD2
SCHEMBL4381198 0.89 PTPN1 (0.38) PTPN1DRD2KDM4EALDH1A1
SCHEMBL4384579 0.88 PTPN1 (0.37) CTSSCTSKPTPN1
SCHEMBL4380448 0.87 LTA4H (0.43) HTR7NOS3NOS1NOS2DRD2
SCHEMBL4373757 0.85 HTR2A (0.38) PTPN1DRD2KDM4E
SCHEMBL4378503 0.85 PTPN1 (0.48) PTPN1
SCHEMBL3742273 0.83 PTPN1 (0.36) PTPN1
SCHEMBL4379622 0.82 PTPN1 (0.37) HTR7PTPN1
SCHEMBL4389955 0.81 PTPN1 (0.51) PTPN1DRD2
SCHEMBL3739976 0.81 PTPN1 (0.32) PTPN1

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