SCHEMBL6016552

SCHEMBL6016552

COc1cc(C(=O)ONS(=O)(=O)c2ccccc2C)ccc1Cc1n[nH]c2cc(N(c3ccc4c(c3)OCCO4)c3nc(N)ncc3F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.33
CYSLTR1 Q9Y271 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 1/20 0.31
PTGES O14684 1/20 0.31
XPO1 O14980 1/20 0.31
SLC22A2 O15244 1/20 0.31
ABCC4 O15439 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6016418 0.82 SYK (0.46) EGFR
SCHEMBL6016544 0.79 SYK (0.46) CYSLTR2CYSLTR1EGFR
SCHEMBL6016322 0.78 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTMEN1PTGES
SCHEMBL656432 0.76 CYSLTR2 (0.35) CYSLTR2CYSLTR1
SCHEMBL6016583 0.74 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTMEN1PTGES
SCHEMBL6016126 0.73 CYSLTR2 (0.40) CYSLTR2CYSLTR1MAPTLMNAPOLB
SCHEMBL6016261 0.72 SYK (0.48) EGFR
SCHEMBL6016327 0.71 SYK (0.44) EGFR
SCHEMBL6016122 0.69 SYK (0.52) MAPTLMNAEGFRPOLB
SCHEMBL18632641 0.69 SYK (0.48) EGFR

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