SCHEMBL2225399

SCHEMBL2225399

CCOC(=O)Cc1nc2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2n1C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
JAK2 O60674 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
GRIN2B Q13224 4/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
CCR8 P51685 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
JAK1 P23458 1/20 0.37
MAPT P10636 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL2274085 0.89 JAK1 (0.44) LMNAKMT2ASMN1; SMN2TSHRJAK2
SCHEMBL2277327 0.87 SMN1; SMN2 (0.40) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2279697 0.84 GRIN2B (0.40) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2271018 0.84 L3MBTL1 (0.38) MEN1KMT2AJAK2TYK2JAK3
SCHEMBL20266928 0.83 JAK2 (0.52) JAK2TYK2JAK3JAK1
SCHEMBL21091382 0.83 JAK2 (0.52) JAK2TYK2JAK3JAK1
SCHEMBL2272526 0.80 HTR6 (0.46) JAK2TYK2JAK3KDM4EJAK1
SCHEMBL2224307 0.80 HTR6 (0.48) JAK2TYK2JAK3KDM4EJAK1
SCHEMBL2278047 0.79 JAK2 (0.44) SMN1; SMN2JAK2TYK2JAK3JAK1
SCHEMBL2278249 0.79 JAK1 (0.43) KMT2ASMN1; SMN2JAK2TYK2JAK3

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