SCHEMBL4724446

SCHEMBL4724446

Cc1ccc(S(=O)(=O)n2ncc3ccc(N)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
GAA P10253 3/20 0.43
CXCL8 P10145 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC9A1 P19634 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL22669487 0.83 MAPT (0.43) MAPTKMT2AMEN1GAACXCL8
SCHEMBL22670321 0.83 MEN1 (0.47) MAPTKMT2AMEN1GAACXCL8
SCHEMBL4763106 0.80 KMT2A (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29976068 0.80 HDAC3 (0.57) MAPTKMT2AMEN1GAACXCL8
SCHEMBL6977740 0.80 HDAC3 (0.57) MAPTKMT2AMEN1GAACXCL8
SCHEMBL29804026 0.80 OPRD1 (0.48) MAPTKMT2AMEN1GAACXCL8
SCHEMBL13726574 0.79 CHEK1 (0.46) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL14547698 0.79 MAPT (0.40) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4990173 0.76 CHEK1 (0.43) KMT2AMEN1ALDH1A1LMNATDP1
SCHEMBL22777139 0.75 IRAK4 (0.51) MAPTKMT2AMEN1ALDH1A1SLC9A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed