SCHEMBL4389725

SCHEMBL4389725

CN1C(N)=Nc2nc(-c3c(N4CCN(C5CCCCC5)CC4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM2B Q8NHM5 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ABCB1 P08183 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN11 Q06124 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
SCHEMBL3732060 0.90 PTPN1 (0.52) PTPN1
SCHEMBL4374699 0.88 PTPN1 (0.44) PTPN1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL4381212 0.86 PTPN1 (0.43) PTPN1ALDH1A1SMN1; SMN2CYP1A2GAA
SCHEMBL4376462 0.85 PTPN1 (0.42) PTPN1HRH3TRPV1
SCHEMBL4374330 0.85 PTPN1 (0.42) PTPN1ALDH1A1KDM4EKCNH2HTR1A
SCHEMBL4374731 0.85 PTPN1 (0.54) PTPN1ALDH1A1KDM4E
SCHEMBL4381688 0.82 HSD11B1 (0.43) PTPN1ALDH1A1KDM4EGAA
SCHEMBL3732573 0.81 PTPN1 (0.38) PTPN1TRPV1
SCHEMBL4379460 0.81 PTPN1 (0.39) PTPN1ALDH1A1SMN1; SMN2
SCHEMBL3742273 0.81 PTPN1 (0.36) 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