SCHEMBL2364998

SCHEMBL2364998

O=CC1(O)CCC(n2nnc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.43
JAK2 O60674 15/20 0.43
JAK3 P52333 6/20 0.43
AURKA O14965 2/20 0.43
PRKCA P17252 2/20 0.43
KDR P35968 2/20 0.43
TYK2 P29597 1/20 0.41

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
SCHEMBL2223923 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2223931 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2277432 0.87 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2223879 0.85 JAK1 (0.46) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2223871 0.85 JAK1 (0.46) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2223875 0.85 JAK1 (0.46) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL12520024 0.84 JAK1 (0.53) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL12385520 0.83 JAK1 (0.60) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2297918 0.83 JAK1 (0.60) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL12385231 0.80 JAK1 (0.64) JAK1JAK2JAK3AURKAPRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed