SCHEMBL6016771

SCHEMBL6016771

Cc1cc(Nc2ncc(F)c(Nc3ccc4c(c3)N=CCO4)n2)cc(F)c1O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.72
AURKA O14965 5/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL655245 0.92 SYK (0.69) SYKAURKAEGFR
SCHEMBL655142 0.84 SYK (1.00) SYKAURKA
SCHEMBL657173 0.84 SYK (1.00) SYKAURKA
SCHEMBL655683 0.83 SYK (0.71) SYKAURKAEGFR
SCHEMBL657428 0.82 SYK (0.82) SYKAURKAEGFR
SCHEMBL655491 0.80 SYK (0.75) SYKAURKAEGFR
SCHEMBL656587 0.79 SYK (0.72) SYKAURKAEGFR
SCHEMBL21802138 0.76 SYK (0.73) SYKAURKAEGFR
SCHEMBL658531 0.76 SYK (0.85) SYKAURKA
SCHEMBL657431 0.76 SYK (0.85) 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