SCHEMBL7978044

SCHEMBL7978044

CCN1CCC(CNC(=O)c2ccc(Nc3nc4cccc(-c5ccc(OC)cc5)n4n3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.63
JAK1 P23458 9/20 0.58
JAK3 P52333 6/20 0.57
PTK2 Q05397 4/20 0.57
TYK2 P29597 2/20 0.52
IKBKB O14920 1/20 0.52
RIPK2 O43353 1/20 0.52
LCK P06239 1/20 0.52
SYK P43405 1/20 0.52
GSK3B P49841 1/20 0.52
PTK2B Q14289 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
SCHEMBL3201366 0.92 JAK2 (0.65) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3215836 0.84 JAK2 (0.64) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3201073 0.83 JAK1 (0.54) JAK2JAK1JAK3PTK2
SCHEMBL13486898 0.83 JAK1 (0.54) JAK2JAK1JAK3PTK2
SCHEMBL3213572 0.82 JAK2 (0.57) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7976762 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3205079 0.82 JAK1 (0.55) JAK2JAK1JAK3PTK2
SCHEMBL3214963 0.82 JAK1 (0.53) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3215273 0.82 JAK2 (0.56) JAK2JAK1JAK3PTK2TYK2
SCHEMBL16248926 0.81 JAK2 (0.52) JAK2JAK1JAK3PTK2

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-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed