SCHEMBL28114038

SCHEMBL28114038

O=P(O)(O)Oc1cnnnn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 10/20 0.39
INPP5A Q14642 6/20 0.39
AKT1 P31749 1/20 0.39
INPP5B P32019 2/20 0.38
SRC P12931 3/20 0.34

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
SCHEMBL27491422 0.73 INPPL1 (0.42) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL31024291 0.66
SCHEMBL3485893 0.64 INPPL1 (0.40) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL16034397 0.62 INPPL1 (0.39) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL16166717 0.62 KDM4E (0.40) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL4181314 0.62 INPPL1 (0.60) INPPL1INPP5AAKT1INPP5BSRC
Water SCHEMBL28150495 0.61 KDM4E (0.39) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL669459 0.60 INPPL1 (0.40) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL11564442 0.58 INPPL1 (0.39) INPPL1INPP5AAKT1INPP5BSRC
SCHEMBL11325002 0.58 INPPL1 (0.43) INPPL1INPP5AAKT1INPP5BSRC

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
CN-106317112-A Tetrazine compound and preparation method and application thereof 四川大学华西医院 2017-01-11 CN disclosed