SCHEMBL13535871

SCHEMBL13535871

CC(=O)Nc1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.55
JAK3 P52333 16/20 0.55
PTK2 Q05397 14/20 0.55
CHRNA7 P36544 1/20 0.46

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
SCHEMBL3227811 0.89 JAK2 (0.58) JAK2JAK3PTK2
SCHEMBL13536031 0.89 JAK2 (0.65) JAK2JAK3PTK2
SCHEMBL3221260 0.88 JAK2 (0.65) JAK2JAK3PTK2
SCHEMBL3223112 0.88 JAK2 (0.57) JAK2JAK3PTK2
SCHEMBL3225725 0.87 JAK2 (0.54) JAK2JAK3PTK2
SCHEMBL3213489 0.87 JAK2 (0.62) JAK2JAK3PTK2
SCHEMBL3222453 0.87 JAK2 (0.55) JAK2JAK3PTK2
SCHEMBL3233033 0.86 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL12077795 0.85 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL3226670 0.83 JAK2 (0.52) JAK2JAK3PTK2

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed