SCHEMBL2336504

SCHEMBL2336504

CC(C)NC(=O)Oc1c[nH]c2ncc(NCC3CCCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.56
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
SYK P43405 1/20 0.40

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
SCHEMBL1369300 0.84 JAK3 (0.75) JAK3JAK2JAK1SYK
SCHEMBL2343199 0.79 JAK3 (0.64) JAK3JAK2JAK1SYK
SCHEMBL2326040 0.77 JAK3 (0.44) JAK3JAK2JAK1SYK
SCHEMBL2325947 0.76 JAK3 (0.44) JAK3JAK2JAK1SYK
SCHEMBL19595613 0.75 JAK3 (0.80) JAK3JAK2JAK1
SCHEMBL2336367 0.74 JAK3 (0.55) JAK3SYK
SCHEMBL2326869 0.73 JAK3 (0.41) JAK3JAK2JAK1SYK
SCHEMBL2342183 0.72 JAK3 (0.57) JAK3JAK2JAK1
SCHEMBL16785984 0.72 JAK3 (1.00) JAK3
SCHEMBL2342903 0.70 SYK (0.45) 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-2250172-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed