SCHEMBL14628872

SCHEMBL14628872

CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC(n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.57
JAK3 P52333 18/20 0.57
JAK1 P23458 16/20 0.57
TYK2 P29597 2/20 0.47
CCR1 P32246 1/20 0.45

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
SCHEMBL2055013 1.00 JAK2 (0.57) JAK2JAK3JAK1TYK2CCR1
SCHEMBL2054982 0.86 JAK2 (0.66) JAK2JAK3JAK1TYK2
SCHEMBL2054944 0.82 JAK2 (0.69) JAK2JAK3JAK1
SCHEMBL2054924 0.82 JAK2 (0.73) JAK2JAK3JAK1
SCHEMBL2054969 0.81 JAK2 (0.60) JAK2JAK3JAK1TYK2
SCHEMBL2054951 0.80 JAK2 (0.66) JAK2JAK3JAK1
SCHEMBL2055002 0.79 JAK2 (0.69) JAK2JAK3JAK1
SCHEMBL2054976 0.79 JAK2 (0.71) JAK2JAK3JAK1
SCHEMBL2055011 0.78 JAK2 (0.65) JAK2JAK3JAK1
SCHEMBL2054955 0.78 JAK2 (0.72) JAK2JAK3JAK1TYK2

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
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed