SCHEMBL15655238

SCHEMBL15655238

CN(C)C1CN(C(=O)c2ccc(-c3cccc4nc(C(N)=O)nn34)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 12/20 0.66
▸ JAK2 O60674 15/20 0.58
▸ JAK3 P52333 3/20 0.46
▸ TYK2 P29597 2/20 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
SCHEMBL15654412 0.87 JAK1 (0.68) JAK1JAK2JAK3TYK2
Cyclopropane SCHEMBL15653621 0.80 JAK1 (0.78) JAK1JAK2JAK3TYK2
SCHEMBL15655082 0.80 JAK2 (0.71) JAK1JAK2JAK3TYK2
SCHEMBL2237694 0.79 JAK1 (1.00) JAK1JAK2JAK3TYK2
SCHEMBL21797154 0.79 JAK2 (0.63) JAK1JAK2JAK3TYK2
SCHEMBL15654821 0.78 JAK1 (0.72) JAK1JAK2JAK3TYK2
SCHEMBL15655224 0.74 JAK1 (0.69) JAK1JAK2JAK3TYK2
SCHEMBL2730240 0.74 NUDT1 (0.62) JAK1JAK2
SCHEMBL15655295 0.73 JAK1 (0.72) JAK1JAK2JAK3TYK2
Cyclopropane SCHEMBL15653878 0.73 JAK2 (0.81) JAK1JAK2TYK2

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-2361251-B1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-04-30 — — EP claimed
Send feedback