SCHEMBL29480718

SCHEMBL29480718

CNS(=O)(=O)CCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 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
SCHEMBL10153813 0.86 PTGS1 (0.33)
SCHEMBL3386734 0.81 JAK2 (0.30) JAK2JAK1TYK2CNR1CNR2
SCHEMBL14002903 0.79
SCHEMBL23692415 0.76
Dimethylamine SCHEMBL19811940 0.76 APP (0.39) CNR1CNR2
SCHEMBL14814813 0.73 ALDH1A1 (0.35) CNR1CNR2
SCHEMBL9995800 0.72 CES1 (0.30) JAK2JAK1TYK2
Dimethylamine SCHEMBL28178194 0.72 MEN1 (0.31) CNR1CNR2
SCHEMBL309951 0.72 CES1 (0.33)
SCHEMBL14814712 0.71 CES1 (0.38) JAK2JAK1TYK2CNR1CNR2

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-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed