SCHEMBL4381688

SCHEMBL4381688

CN1C(N)=Nc2nc(-c3c(N4CCN(Cc5ccccc5)CC4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
PTPN1 P18031 3/20 0.40
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
NCF1 P14598 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4374330 0.90 PTPN1 (0.42) HSD11B1DRD4DRD2PTPN1GRM2
SCHEMBL4375700 0.89 KDM4E (0.39) DRD4DRD2DRD3PTPN1GRM2
SCHEMBL4381212 0.89 PTPN1 (0.43) DRD4PTPN1GRM2ALDH1A1MAPT
SCHEMBL4374699 0.88 PTPN1 (0.44) DRD4PTPN1GRM2KDM4EALDH1A1
SCHEMBL4379460 0.87 PTPN1 (0.39) PTPN1ALDH1A1MAPTNPSR1TSHR
SCHEMBL3732060 0.86 PTPN1 (0.52) DRD4PTPN1GRM2HTR2AHTR2C
SCHEMBL4376462 0.84 PTPN1 (0.42) HSD11B1DRD4PTPN1GRM2HTR2A
SCHEMBL4374731 0.84 PTPN1 (0.54) PTPN1KDM4EALDH1A1LMNA
SCHEMBL4389725 0.82 PTPN1 (0.43) PTPN1KDM4EALDH1A1GAA
SCHEMBL3742273 0.80 PTPN1 (0.36) PTPN1HTR2AHTR2C

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