SCHEMBL13616971

SCHEMBL13616971

Nc1ncsc1-c1cccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.38
LRRK2 Q5S007 2/20 0.36
BCAT1 P54687 1/20 0.36
PTPN11 Q06124 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
REV1 Q9UBZ9 1/20 0.34
DYRK1A Q13627 3/20 0.33
CNR2 P34972 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MAP4K4 O95819 1/20 0.32
ADORA2A P29274 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
THPO P40225 1/20 0.32
HSD11B1 P28845 1/20 0.31
JAK2 O60674 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
SCHEMBL13616805 0.86 MPL (0.47) MPLKDM4EALDH1A1MAP4K4ADORA2A
SCHEMBL13398609 0.74 KDM4E (0.55) KDM4ECNR2CYP1A2CYP3A4THPO
SCHEMBL13616946 0.71 ADORA2A (0.40) KDM4EALDH1A1ADORA2ASMN1; SMN2CYP1A2
SCHEMBL13617343 0.71 ALDH1A1 (0.43) KDM4EALDH1A1MAP4K4SMN1; SMN2JAK2
SCHEMBL13616873 0.71 CLK1 (0.37) LRRK2KDM4EALDH1A1MAP4K4CYP3A4
SCHEMBL13617070 0.70 GRM2 (0.37) MPLKDM4E
SCHEMBL13616861 0.70 PIM1 (0.40) MPLKDM4ESMN1; SMN2
SCHEMBL20570873 0.68 PTPN11 (0.45) MPLLRRK2BCAT1PTPN11KDM4E
SCHEMBL3038641 0.67 CES2 (0.46) MPLBCAT1CNR2CCNE2CCNE1
SCHEMBL474677 0.67 MPL (0.74) MPLKDM4EALDH1A1SMN1; SMN2CYP1A2

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-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed