SCHEMBL2347007

SCHEMBL2347007

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(OC(=O)NC4CCOCC4)cs3)nc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.40
JAK2 O60674 4/20 0.35
JAK1 P23458 4/20 0.35
SYK P43405 3/20 0.35

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
SCHEMBL2350362 0.86 JAK3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL1889485 0.86 JAK3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL2342082 0.82 JAK3 (0.43) JAK3SYK
SCHEMBL1892114 0.79 JAK3 (0.42) JAK3JAK2JAK1SYK
SCHEMBL2340857 0.78 JAK3 (0.41) JAK3SYK
SCHEMBL2344168 0.78 JAK3 (0.43) JAK3JAK2JAK1SYK
SCHEMBL1896043 0.74 JAK3 (0.45) JAK3SYK
SCHEMBL2340082 0.73 JAK3 (0.43) JAK3JAK2JAK1
SCHEMBL2280517 0.72 JAK3 (0.60) JAK3JAK2JAK1
SCHEMBL2280999 0.71 JAK3 (0.59) JAK3JAK2JAK1SYK

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
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed