SCHEMBL2273996

SCHEMBL2273996

Cc1nc2c(S(=O)(=O)c3ccccc3)nc3[nH]ccc3c2n1C1(C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.41
JAK2 O60674 7/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
CYP11B2 P19099 1/20 0.38
STS P08842 1/20 0.37
PIK3CA P42336 1/20 0.36
RORC P51449 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2280484 0.89 JAK1 (0.39) JAK1JAK2TYK2JAK3MMP2
SCHEMBL2224979 0.83 JAK1 (0.46) JAK1JAK2TYK2JAK3ALOX15
SCHEMBL2224684 0.82 JAK1 (0.39) JAK1JAK2TYK2JAK3
SCHEMBL2278688 0.79 JAK1 (0.44) JAK1JAK2TYK2JAK3MMP2
SCHEMBL2278771 0.79 JAK1 (0.45) JAK1JAK2TYK2JAK3STS
SCHEMBL2276488 0.78 JAK1 (0.46) JAK1JAK2TYK2JAK3STS
SCHEMBL2274401 0.77 JAK1 (0.46) JAK1JAK2TYK2JAK3STS
SCHEMBL2277601 0.77 JAK1 (0.45) JAK1JAK2TYK2JAK3STS
SCHEMBL2278106 0.77 JAK1 (0.45) JAK1JAK2TYK2JAK3MMP13
SCHEMBL2276588 0.77 JAK1 (0.45) JAK1JAK2TYK2JAK3STS

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