SCHEMBL6016583

SCHEMBL6016583

COc1cc(C(=O)ONS(=O)(=O)c2ccccc2C)ccc1Cc1n[nH]c2ccc(N)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.42
CYSLTR1 Q9Y271 3/20 0.42
MEN1 O00255 1/20 0.39
PTGES O14684 1/20 0.39
XPO1 O14980 1/20 0.39
SLC22A2 O15244 1/20 0.39
ABCC4 O15439 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR1 P21554 1/20 0.39
TBXAS1 P24557 1/20 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
SCHEMBL6016322 0.94 CYSLTR2 (0.42) CYSLTR2CYSLTR1MEN1PTGESXPO1
SCHEMBL6016131 0.88 PLA2G4A (0.35) CYSLTR2CYSLTR1MEN1MAPTCYP2C9
SCHEMBL6016223 0.88 MAPT (0.41) CYSLTR2CYSLTR1MAPTPLA2G4A
SCHEMBL6016126 0.83 CYSLTR2 (0.40) CYSLTR2CYSLTR1POLBMAPTPLA2G4A
SCHEMBL654215 0.75 CYSLTR2 (0.46) CYSLTR2CYSLTR1
SCHEMBL1116422 0.75 CYSLTR2 (0.41) CYSLTR2CYSLTR1
SCHEMBL6016552 0.74 CYSLTR2 (0.33) CYSLTR2CYSLTR1MEN1PTGESXPO1
SCHEMBL6016418 0.73 SYK (0.46) EGFR
SCHEMBL13772139 0.69 EPHX2 (0.70) CYSLTR1EPHX2PPARG
SCHEMBL8951231 0.66 GPR84 (0.63) CYSLTR2CYSLTR1MEN1POLBMAPT

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-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed