SCHEMBL2106240

SCHEMBL2106240

CCOC(=O)[C@@H](Nc1c(C(N)=O)cnc2[nH]ccc12)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.47
JAK1 P23458 14/20 0.47
JAK2 O60674 12/20 0.47
TYK2 P29597 4/20 0.46
NUDT1 P36639 1/20 0.46

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
SCHEMBL3403885 0.85 JAK2 (0.55) JAK3JAK1JAK2TYK2
SCHEMBL2104973 0.81 JAK2 (0.48) JAK3JAK1JAK2TYK2
SCHEMBL2106504 0.81 JAK2 (0.55) JAK3JAK1JAK2TYK2NUDT1
SCHEMBL2104906 0.81 JAK2 (0.55) JAK3JAK1JAK2TYK2NUDT1
SCHEMBL3430719 0.81 JAK2 (0.55) JAK3JAK1JAK2TYK2NUDT1
SCHEMBL2105190 0.81 JAK2 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL2104887 0.80 JAK2 (0.54) JAK3JAK1JAK2TYK2
SCHEMBL2106071 0.80 JAK2 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2107295 0.80 JAK2 (0.51) JAK3JAK1JAK2TYK2
SCHEMBL2106244 0.80 JAK2 (0.49) JAK3JAK1JAK2TYK2

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
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed