SCHEMBL2274748

SCHEMBL2274748

Cc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.53
JAK1 P23458 17/20 0.53
AURKA O14965 1/20 0.42
PRKCA P17252 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 5/20 0.41
HTR6 P50406 1/20 0.39
TYK2 P29597 4/20 0.39

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
SCHEMBL2280645 0.91 JAK1 (0.53) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2277351 0.90 JAK1 (0.53) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2273736 0.89 JAK1 (0.43) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2227229 0.89 JAK1 (0.45) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2280818 0.89 JAK1 (0.42) JAK2JAK1JAK3HTR6TYK2
SCHEMBL2280651 0.89 JAK1 (0.48) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2365117 0.88 JAK2 (0.42) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2224863 0.86 JAK1 (0.41) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2274424 0.86 JAK1 (0.45) JAK2JAK1AURKAPRKCAKDR
SCHEMBL2275095 0.86 JAK1 (0.43) JAK2JAK1AURKAPRKCAKDR

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