SCHEMBL3721804

SCHEMBL3721804

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.60
JAK2 O60674 1/20 0.60
JAK1 P23458 1/20 0.60
STAT6 P42226 9/20 0.55
SYK P43405 2/20 0.51

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
SCHEMBL913581 0.91 STAT6 (0.60) JAK3JAK2JAK1STAT6SYK
SCHEMBL3712394 0.89 JAK3 (0.56) JAK3JAK2JAK1STAT6SYK
SCHEMBL3721789 0.87 JAK3 (0.56) JAK3JAK2JAK1STAT6SYK
SCHEMBL913757 0.85 JAK3 (0.64) JAK3JAK2JAK1STAT6SYK
SCHEMBL913619 0.84 SYK (0.59) JAK3JAK2JAK1SYK
SCHEMBL913070 0.81 SYK (0.56) SYK
SCHEMBL912892 0.81 SYK (0.58) SYK
SCHEMBL912893 0.81 SYK (0.58) SYK
SCHEMBL913796 0.81 JAK3 (0.57) JAK3JAK2JAK1STAT6SYK
SCHEMBL3723341 0.81 JAK3 (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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