SCHEMBL1504397

SCHEMBL1504397

CCC(C)(C)C(=O)On1ccc2c(-c3cnn(C(CC=O)C4CCCC4)c3)cnnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.35
JAK2 O60674 4/20 0.33
JAK3 P52333 3/20 0.33
TYK2 P29597 2/20 0.33
DAPK3 O43293 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
RET P07949 2/20 0.32
LTK P29376 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CLK2 P49760 2/20 0.32
TNK2 Q07912 2/20 0.32
ROCK1 Q13464 2/20 0.32
DYRK1A Q13627 2/20 0.32
IKBKE Q14164 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32
LRRK2 Q5S007 2/20 0.32
TAOK1 Q7L7X3 2/20 0.32
CAMK1D Q8IU85 2/20 0.32

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
SCHEMBL1504393 0.83 JAK1 (0.35) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504392 0.83 JAK1 (0.35) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504499 0.82 JAK1 (0.34) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504497 0.82 JAK1 (0.34) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504596 0.82 JAK1 (0.34) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504539 0.81 JAK1 (0.34) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL1504535 0.81 JAK1 (0.34) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL28861118 0.78 JAK1 (0.42) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL28956389 0.77 JAK2 (0.35) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL28801738 0.75 JAK2 (0.56) JAK1JAK2JAK3TYK2DAPK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed