SCHEMBL6016418

SCHEMBL6016418

COc1cc(C(=O)ONS(=O)(=O)c2ccccc2C)ccc1Cc1n[nH]c2cc(Nc3ncc(F)c(Nc4ccc5c(c4)OCCO5)n3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.46
EGFR P00533 3/20 0.41
JAK3 P52333 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
ERBB2 P04626 1/20 0.39
NTRK1 P04629 1/20 0.39
PRKCG P05129 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CDK1 P06493 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 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
SCHEMBL6016544 0.95 SYK (0.46) SYKEGFRJAK3PLK4AURKA
SCHEMBL6016261 0.90 SYK (0.48) SYKEGFRJAK3PLK4AURKA
SCHEMBL6016122 0.89 SYK (0.52) SYKEGFR
SCHEMBL6016327 0.88 SYK (0.44) SYKEGFRJAK3PLK4AURKA
SCHEMBL18632641 0.85 SYK (0.48) SYKEGFRJAK3PLK4AURKA
SCHEMBL1116433 0.83 SYK (0.54) SYKEGFRBTK
SCHEMBL656612 0.83 SYK (0.47) SYKEGFRBTK
SCHEMBL6016552 0.82 CYSLTR2 (0.33) EGFR
SCHEMBL6016154 0.78 SYK (0.52) SYKAURKA
SCHEMBL6016322 0.77 CYSLTR2 (0.42) 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