SCHEMBL4373757

SCHEMBL4373757

CN1C(N)=Nc2nc(-c3c(OCCN4CCOCC4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ADCY10 Q96PN6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
PTPN1 P18031 1/20 0.37
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DRD2 P14416 2/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL4380448 0.92 LTA4H (0.43) HTR2AHTR2CHTR2BDRD2
SCHEMBL4384328 0.87 PTPN1 (0.36) HTR2AHTR2CHTR2BPTPN1DRD2
SCHEMBL4381198 0.87 PTPN1 (0.38) HTR2AHTR2CHTR2BPTPN1KDM4E
SCHEMBL4384579 0.85 PTPN1 (0.37) HTR2AHTR2CHTR2BPTPN1
SCHEMBL4381287 0.85 CTSS (0.36) PTPN1KDM4EDRD2
SCHEMBL4374731 0.83 PTPN1 (0.54) HTR2BCNR2PTPN1PIK3CDPIK3CA
SCHEMBL4378503 0.82 PTPN1 (0.48) HTR2AHTR2CHTR2BPTPN1
SCHEMBL3742273 0.81 PTPN1 (0.36) HTR2AHTR2CHTR2BPTPN1
SCHEMBL4379622 0.80 PTPN1 (0.37) HTR2AHTR2CHTR2BPTPN1
SCHEMBL4389955 0.79 PTPN1 (0.51) HTR2AHTR2CHTR2BPTPN1DRD2

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