SCHEMBL3712976

SCHEMBL3712976

CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCC3CCCN(Cc4ccccc4)C3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.52
STAT6 P42226 6/20 0.49
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
JAK3 P52333 3/20 0.48
EGFR P00533 1/20 0.47
SCN9A Q15858 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL913990 0.87 SYK (0.66) SYKJAK2JAK1JAK3
SCHEMBL913485 0.87 SYK (0.69) SYKJAK2JAK1JAK3EGFR
SCHEMBL912950 0.86 SYK (0.55) SYKSTAT6JAK2JAK1JAK3
SCHEMBL913819 0.85 JAK3 (0.61) SYKJAK2JAK1JAK3EGFR
SCHEMBL915079 0.85 JAK2 (0.61) SYKJAK2JAK1JAK3EGFR
SCHEMBL913556 0.85 SYK (0.54) SYKJAK2JAK1JAK3
SCHEMBL14982156 0.84 SYK (0.55) SYKSTAT6JAK2JAK1JAK3
SCHEMBL913762 0.84 SYK (0.60) SYKJAK2JAK1JAK3EGFR
SCHEMBL913830 0.82 SYK (0.58) SYKJAK2JAK1JAK3
SCHEMBL913953 0.80 SYK (0.65) SYKJAK2JAK1JAK3EGFR

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