SCHEMBL10168534

SCHEMBL10168534

COc1cc(Nc2ncc(C)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.82
JAK3 P52333 9/20 0.82
JAK2 O60674 7/20 0.82
SYK P43405 6/20 0.82
PTK2 Q05397 4/20 0.82
TYK2 P29597 3/20 0.82
ADORA3 P0DMS8 2/20 0.82
TYRO3 Q06418 2/20 0.82
PLK4 O00444 2/20 0.82
AURKA O14965 2/20 0.82
STK16 O75716 2/20 0.82
RET P07949 2/20 0.82
FLT3 P36888 2/20 0.82
MAPK8 P45983 2/20 0.82
MAPK9 P45984 2/20 0.82
MST1R Q04912 2/20 0.82
TNK1 Q13470 2/20 0.82
IKBKE Q14164 2/20 0.82
MAP3K11 Q16584 2/20 0.82
ADCK1 Q86TW2 2/20 0.82

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
R-406 SCHEMBL1200144 0.90 SYK (1.00) JAK1JAK3JAK2SYKPTK2
R-406 SCHEMBL29358236 0.90 SYK (1.00) JAK1JAK3JAK2SYKPTK2
SCHEMBL2627469 0.89 SYK (0.91) JAK1JAK3JAK2SYKPTK2
R-406 SCHEMBL12903997 0.87 SYK (0.92) JAK1JAK3JAK2SYKPTK2
SCHEMBL16606925 0.86 SYK (0.81) JAK1JAK3JAK2SYKPTK2
R-406 SCHEMBL12903982 0.86 SYK (0.91) JAK1JAK3JAK2SYKPTK2
R-406 SCHEMBL12904025 0.85 SYK (0.84) JAK1JAK3JAK2SYKPTK2
SCHEMBL11937326 0.85 SYK (0.87) JAK1JAK3JAK2SYKPTK2
R-406 SCHEMBL12904000 0.85 SYK (0.89) JAK1JAK3JAK2SYKPTK2
SCHEMBL1383686 0.85 SYK (0.89) JAK1JAK3JAK2SYKPTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420505-A1 Prodrug salts of 2, 4- pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2012-02-22 EP disclosed