SCHEMBL2226240

SCHEMBL2226240

N#CC1CCC(n2c(CO)nc3cnc4[nH]ccc4c32)CC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.80
JAK2 O60674 16/20 0.75
JAK1 P23458 13/20 0.75
TYK2 P29597 15/20 0.69
CYP3A4 P08684 1/20 0.69

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
SCHEMBL12385675 1.00 JAK3 (0.80) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL12385611 0.93 JAK3 (0.73) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL2272902 0.93 JAK3 (0.73) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL22641779 0.90 JAK3 (0.69) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL2276691 0.89 JAK3 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL12385677 0.89 JAK3 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL12385680 0.86 JAK3 (0.84) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL2224001 0.86 JAK3 (0.84) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL2226290 0.86 JAK1 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL2297203 0.85 JAK1 (0.81) JAK3JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO disclosed
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