SCHEMBL7014469

SCHEMBL7014469

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nccn3C)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.47
JAK2 O60674 4/20 0.47
JAK1 P23458 2/20 0.47
NPY1R P25929 14/20 0.44
TTK P33981 1/20 0.43

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
SCHEMBL7018363 0.89 JAK2 (0.45) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7012500 0.89 JAK2 (0.50) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7014544 0.87 JAK2 (0.45) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7016488 0.87 JAK2 (0.48) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7019820 0.86 JAK2 (0.44) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7016400 0.86 JAK2 (0.47) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7019134 0.85 JAK2 (0.43) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7018377 0.85 NPY1R (0.44) JAK3JAK2JAK1NPY1RTTK
SCHEMBL8057456 0.85 NPY1R (0.49) JAK3JAK2JAK1NPY1RTTK
SCHEMBL7019795 0.85 JAK2 (0.46) JAK3JAK2JAK1NPY1RTTK

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