SCHEMBL12206995

SCHEMBL12206995

C=C(N)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 13/20 0.63
JAK3 P52333 3/20 0.59
IRAK4 Q9NWZ3 2/20 0.59
JAK2 O60674 1/20 0.59
JAK1 P23458 1/20 0.59
TYK2 P29597 1/20 0.59
PLK4 O00444 1/20 0.53
MAPK10 P53779 2/20 0.52
MAPK9 P45984 1/20 0.52

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
SCHEMBL2474883 0.91 JAK3 (0.72) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2481423 0.85 JAK3 (0.64) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2481521 0.83 JAK3 (0.68) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2479634 0.83 JAK3 (0.60) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301574 0.83 JAK3 (0.73) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12206772 0.83 JAK3 (0.73) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2485957 0.83 JAK3 (0.62) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2474595 0.83 STAT6 (0.60) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2481110 0.83 STAT6 (0.61) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2477658 0.82 STAT6 (0.59) STAT6JAK3IRAK4JAK2JAK1

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
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed