SCHEMBL14280211

SCHEMBL14280211

O=C(NCCO)c1ccc(Nc2nc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.59
TYK2 P29597 10/20 0.59
JAK2 O60674 9/20 0.59
JAK3 P52333 8/20 0.59
GAA P10253 1/20 0.43
PRMT5 O14744 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
HDAC4 P56524 1/20 0.40
FLT3 P36888 1/20 0.39
PTK2 Q05397 1/20 0.38

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
SCHEMBL2573565 0.92 JAK1 (0.58) JAK1TYK2JAK2JAK3PRMT5
SCHEMBL2575954 0.84 JAK2 (0.59) JAK1TYK2JAK2JAK3MAPT
SCHEMBL2571831 0.83 JAK1 (0.58) JAK1TYK2JAK2JAK3MAPT
SCHEMBL2571744 0.83 TYK2 (0.70) JAK1TYK2JAK2JAK3MAPT
SCHEMBL2569579 0.82 JAK1 (0.71) JAK1TYK2JAK2JAK3MAPT
SCHEMBL2574165 0.80 JAK1 (0.80) JAK1TYK2JAK2JAK3MAPT
SCHEMBL2575207 0.79 JAK1 (0.78) JAK1TYK2JAK2JAK3
SCHEMBL2577250 0.79 JAK1 (0.72) JAK1TYK2JAK2JAK3FLT3
SCHEMBL14256422 0.78 CA2 (0.56) JAK1TYK2JAK2JAK3GAA
SCHEMBL14280403 0.73 JAK2 (0.47) JAK1TYK2JAK2JAK3

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