SCHEMBL2273524

SCHEMBL2273524

N#CCCN1CCC(n2c(CC(=O)N3CCOCC3)nc3cnc4[nH]ccc4c32)CC1.O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCNCC1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.69
JAK2 O60674 8/20 0.69
TYK2 P29597 7/20 0.69
JAK3 P52333 7/20 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
SCHEMBL2280686 0.96 JAK1 (0.73) JAK1JAK2TYK2JAK3
SCHEMBL2295188 0.89 JAK1 (0.78) JAK1JAK2TYK2JAK3
SCHEMBL12385275 0.87 JAK1 (0.79) JAK1JAK2TYK2JAK3
SCHEMBL2355208 0.86 JAK1 (0.79) JAK1JAK2TYK2JAK3
SCHEMBL2298463 0.85 JAK1 (0.69) JAK1JAK2TYK2JAK3
SCHEMBL12385273 0.84 JAK1 (0.76) JAK1JAK2TYK2JAK3
SCHEMBL2279234 0.82 JAK2 (0.65) JAK1JAK2TYK2JAK3
SCHEMBL24642742 0.81 JAK2 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21490538 0.81 JAK2 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL21490540 0.81 JAK2 (1.00) JAK1JAK2TYK2JAK3

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