SCHEMBL7955694

SCHEMBL7955694

O=C(Nc1nc2cccc(-c3c[nH]nn3)n2n1)C1CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.68
JAK2 O60674 9/20 0.64
TYK2 P29597 3/20 0.62
JAK3 P52333 2/20 0.62
IKBKB O14920 1/20 0.62
RIPK2 O43353 1/20 0.62
LCK P06239 1/20 0.62
SYK P43405 1/20 0.62
GSK3B P49841 1/20 0.62
PTK2B Q14289 1/20 0.62

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
SCHEMBL7963722 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL2238524 0.81 JAK1 (1.00) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL11916701 0.80 JAK1 (1.00) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031596 0.80 JAK1 (0.73) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL2238602 0.79 JAK2 (0.80) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL7963880 0.79 JAK1 (0.65) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL7966910 0.78 JAK1 (0.70) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL13031358 0.78 JAK1 (0.78) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL2185993 0.78 JAK2 (0.82) JAK1JAK2TYK2JAK3IKBKB
SCHEMBL2237531 0.78 JAK2 (1.00) JAK1JAK2TYK2JAK3IKBKB

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-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed