SCHEMBL2275463

SCHEMBL2275463

O=S(=O)(c1ccccc1)c1nc2cnc3[nH]ccc3c2n1C1CCCCNC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.61
JAK2 O60674 14/20 0.61
AURKA O14965 2/20 0.51
PRKCA P17252 2/20 0.51
KDR P35968 2/20 0.51
TYK2 P29597 3/20 0.49
JAK3 P52333 3/20 0.49

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
SCHEMBL2279030 0.91 JAK1 (0.62) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2223333 0.88 JAK1 (0.62) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2223856 0.85 JAK1 (0.50) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2223737 0.84 JAK1 (0.62) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2276343 0.83 JAK1 (0.54) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2226063 0.83 JAK1 (0.54) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2277228 0.82 JAK1 (0.48) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2278931 0.81 JAK1 (0.51) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2273239 0.81 JAK1 (0.58) JAK1JAK2AURKAPRKCAKDR
SCHEMBL2275172 0.81 JAK1 (0.64) JAK1JAK2AURKAPRKCAKDR

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