SCHEMBL7012500

SCHEMBL7012500

C=CCOC(=O)Nc1cccc(CNc2cc(N3CCOCC3)cc(CSc3ncccn3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.50
JAK3 P52333 6/20 0.50
JAK1 P23458 4/20 0.50
TTK P33981 2/20 0.46
NPY1R P25929 12/20 0.45
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7016488 0.92 JAK2 (0.48) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7014469 0.89 JAK3 (0.47) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7016700 0.88 JAK2 (0.45) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7016400 0.88 JAK2 (0.47) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7019525 0.87 JAK2 (0.44) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7013408 0.87 JAK2 (0.46) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7018604 0.87 JAK2 (0.46) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7019795 0.87 JAK2 (0.46) JAK2JAK3JAK1TTKNPY1R
SCHEMBL8057456 0.87 NPY1R (0.49) JAK2JAK3JAK1TTKNPY1R
SCHEMBL7018375 0.86 NPY1R (0.47) JAK2JAK3JAK1TTKNPY1R

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