SCHEMBL7018604

SCHEMBL7018604

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3nc(CO)cs3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK3 P52333 3/20 0.46
JAK1 P23458 2/20 0.46
NPY1R P25929 16/20 0.44
TTK P33981 1/20 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
SCHEMBL7019780 0.94 NPY1R (0.45) JAK2JAK3JAK1NPY1RTTK
SCHEMBL8057456 0.92 NPY1R (0.49) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7012500 0.87 JAK2 (0.50) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7013325 0.87 NPY1R (0.46) JAK2JAK3JAK1NPY1RTTK
SCHEMBL647566 0.87 NPY1R (0.46) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7015755 0.86 NPY1R (0.54) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7017021 0.86 NPY1R (0.46) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7016590 0.86 NPY1R (0.57) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7015274 0.86 NPY1R (0.46) JAK2JAK3JAK1NPY1RTTK
SCHEMBL7010930 0.86 NPY1R (0.46) JAK2JAK3JAK1NPY1RTTK

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