SCHEMBL3786154

SCHEMBL3786154

CC(=O)Nc1ccc(O)c(Nc2ncc(C(N)=O)c(NCC3CCCN(C(=O)OCc4ccccc4)C3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.52
LCK P06239 1/20 0.45
STAT6 P42226 7/20 0.44
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42

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
SCHEMBL912950 0.90 SYK (0.55) SYKLCKSTAT6JAK2JAK1
SCHEMBL19772878 0.84 SYK (0.58) SYKLCKSTAT6JAK2JAK1
SCHEMBL737077 0.82 SYK (0.78) SYK
SCHEMBL913485 0.78 SYK (0.69) SYKJAK2JAK1JAK3
SCHEMBL913990 0.78 SYK (0.66) SYKJAK2JAK1JAK3
SCHEMBL3792397 0.77 MAPK8 (0.49) SYKSTAT6
SCHEMBL14982156 0.77 SYK (0.55) SYKSTAT6JAK2JAK1JAK3
SCHEMBL3712976 0.77 SYK (0.52) SYKSTAT6JAK2JAK1JAK3
SCHEMBL913830 0.76 SYK (0.58) SYKJAK2JAK1JAK3
SCHEMBL3793017 0.74 SYK (0.49) SYKSTAT6

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