SCHEMBL3721789

SCHEMBL3721789

CC(=O)N(c1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
STAT6 P42226 10/20 0.51
SYK P43405 3/20 0.47

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
SCHEMBL3723341 0.90 JAK3 (0.53) JAK3JAK2JAK1STAT6
SCHEMBL3721804 0.87 JAK3 (0.60) JAK3JAK2JAK1STAT6SYK
SCHEMBL913540 0.83 STAT6 (0.57) JAK3JAK2JAK1STAT6SYK
SCHEMBL913190 0.83 SYK (0.56) SYK
SCHEMBL913189 0.83 SYK (0.56) SYK
SCHEMBL913615 0.82 STAT6 (0.55) JAK3JAK2JAK1STAT6SYK
SCHEMBL913757 0.82 JAK3 (0.64) JAK3JAK2JAK1STAT6SYK
SCHEMBL3712394 0.80 JAK3 (0.56) JAK3JAK2JAK1STAT6SYK
SCHEMBL913581 0.78 STAT6 (0.60) JAK3JAK2JAK1STAT6SYK
SCHEMBL3716209 0.77 STAT6 (0.57) JAK3JAK2JAK1STAT6

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed