SCHEMBL7013002

SCHEMBL7013002

C=CCOC(=O)Nc1cccc(CN(C(=O)OC(C)(C)C)c2cc(N3CCOCC3)cc(C(OC)(OCC)[Si](C)(C)C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 2/20 0.36
AKT1 P31749 1/20 0.36
TTK P33981 1/20 0.35
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 3/20 0.32
CASR P41180 1/20 0.32
BTK Q06187 1/20 0.32
AOC3 Q16853 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KIF18A Q8NI77 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL7011382 0.85 JAK3 (0.39) JAK3JAK2JAK1AKT1TTK
SCHEMBL7011716 0.85 JAK3 (0.39) JAK3JAK2JAK1AKT1TTK
SCHEMBL7017463 0.84 JAK3 (0.38) JAK3JAK2JAK1AKT1TTK
SCHEMBL7011098 0.82 JAK2 (0.37) JAK3JAK2JAK1AKT1TTK
SCHEMBL7012014 0.82 SLC6A9 (0.37) JAK3JAK2LMNAMAPTSMN1; SMN2
SCHEMBL7021884 0.81 AKT1 (0.35) JAK3JAK2JAK1AKT1TTK
SCHEMBL7016210 0.80 JAK3 (0.36) JAK3JAK2JAK1AKT1TTK
SCHEMBL7013004 0.80 AKT1 (0.36) JAK3JAK2JAK1AKT1TTK
SCHEMBL7012999 0.80 JAK3 (0.35) JAK3JAK2JAK1AKT1TTK
SCHEMBL7011245 0.79 NPY1R (0.51) JAK3JAK2JAK1AKT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed