SCHEMBL14280403

SCHEMBL14280403

CS(=O)(=O)c1ccc(Nc2nc3cccc(-c4ccc(CC(=O)NCCO)cc4)c3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.47
JAK1 P23458 9/20 0.47
TYK2 P29597 7/20 0.47
JAK3 P52333 6/20 0.47
PTGS2 P35354 3/20 0.39
KDM1A O60341 4/20 0.39
GSK3B P49841 1/20 0.37
PTGS1 P23219 1/20 0.37
RORC P51449 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL2575954 0.81 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL14256422 0.78 CA2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL14280248 0.73 JAK1 (0.45) JAK2JAK1TYK2JAK3
SCHEMBL14280211 0.73 JAK1 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL2573586 0.73 JAK2 (0.64) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL14256914 0.73 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2569549 0.72 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2576247 0.72 JAK2 (0.80) JAK2JAK1TYK2JAK3
SCHEMBL2574591 0.71 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL2573732 0.71 JAK3 (0.53) JAK2JAK1TYK2JAK3

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-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed