SCHEMBL6017007

SCHEMBL6017007

CS(=O)(=O)N1C=COc2cc(Nc3nc(Nc4cccc(O)c4)ncc3F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 17/20 0.60
AURKA O14965 3/20 0.52
MAPK8 P45983 1/20 0.52
AURKB Q96GD4 1/20 0.52
CDK19 Q9BWU1 1/20 0.52

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
SCHEMBL658892 0.86 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL658015 0.86 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
SCHEMBL657955 0.81 SYK (0.65) SYKAURKAMAPK8AURKBCDK19
R-112 SCHEMBL655935 0.77 SYK (1.00) SYKAURKAMAPK8AURKBCDK19
R-112 SCHEMBL31294216 0.77 SYK (1.00) SYKAURKAMAPK8AURKBCDK19
R-112 SCHEMBL29360016 0.77 SYK (1.00) SYKAURKAMAPK8AURKBCDK19
SCHEMBL656711 0.76 SYK (0.64) SYKAURKAMAPK8AURKBCDK19
SCHEMBL16660512 0.76 SYK (0.64) SYKAURKAMAPK8AURKBCDK19
SCHEMBL657430 0.76 SYK (0.67) SYKAURKAMAPK8AURKBCDK19
SCHEMBL658530 0.76 SYK (0.67) SYKAURKAMAPK8AURKBCDK19

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