SCHEMBL6016261

SCHEMBL6016261

COc1cc(C(=O)ONS(=O)(=O)c2ccccc2C)ccc1Cc1n[nH]c2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.48
AURKA O14965 4/20 0.41
PLK4 O00444 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 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
SCHEMBL18632641 0.95 SYK (0.48) SYKAURKAPLK4PDPK1DAPK3
SCHEMBL6016327 0.90 SYK (0.44) SYKAURKAPLK4PDPK1DAPK3
SCHEMBL6016418 0.90 SYK (0.46) SYKAURKAPLK4PDPK1DAPK3
SCHEMBL6016154 0.89 SYK (0.52) SYKAURKA
SCHEMBL6016544 0.85 SYK (0.46) SYKAURKAPLK4PDPK1DAPK3
SCHEMBL1116431 0.83 SYK (0.51) SYKAURKA
SCHEMBL1116428 0.83 SYK (0.57) SYKAURKAEGFRITK
SCHEMBL6016322 0.79 CYSLTR2 (0.42) EGFR
SCHEMBL6016122 0.77 SYK (0.52) SYKEGFR
SCHEMBL6016125 0.75 SYK (0.59) SYKAURKA

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