SCHEMBL13984998

SCHEMBL13984998

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)OC)C(=O)C(C)(C)O4)n2)cc(OC)c1OC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.89
▸ PLK4 O00444 4/20 0.89
▸ RET P07949 4/20 0.89
▸ FLT3 P36888 4/20 0.89
▸ MAPK8 P45983 4/20 0.89
▸ MAPK9 P45984 4/20 0.89
▸ PTK2 Q05397 4/20 0.89
▸ AURKB Q96GD4 3/20 0.89
▸ AURKA O14965 3/20 0.89
▸ MST1R Q04912 3/20 0.89
▸ IKBKE Q14164 3/20 0.89
▸ STK16 O75716 2/20 0.89
▸ TNK1 Q13470 2/20 0.89
▸ MAP3K11 Q16584 2/20 0.89
▸ ADCK1 Q86TW2 2/20 0.89
▸ PIP4K2C Q8TBX8 2/20 0.89
▸ NEK9 Q8TD19 2/20 0.89
▸ IRAK3 Q9Y616 2/20 0.89
▸ LATS1 O95835 1/20 0.89
▸ BRDT Q58F21 1/20 0.89

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
Fostamatinib SCHEMBL29351337 0.94 SYK (1.00) SYKPLK4RETFLT3MAPK8
Fostamatinib SCHEMBL1201371 0.94 SYK (1.00) SYKPLK4RETFLT3MAPK8
SCHEMBL13451994 0.94 SYK (0.91) SYKPLK4RETFLT3MAPK8
Fostamatinib SCHEMBL22164570 0.94 SYK (0.99) SYKPLK4RETFLT3MAPK8
Fostamatinib SCHEMBL16820327 0.94 SYK (0.99) SYKPLK4RETFLT3MAPK8
SCHEMBL15317969 0.93 SYK (0.85) SYKPLK4RETFLT3MAPK8
Fostamatinib SCHEMBL28519986 0.93 SYK (0.97) SYKPLK4RETFLT3MAPK8
SCHEMBL14751923 0.93 SYK (0.87) SYKPLK4RETFLT3MAPK8
SCHEMBL16820329 0.93 SYK (0.89) SYKPLK4RETFLT3MAPK8
Fostamatinib SCHEMBL29219528 0.92 SYK (0.91) SYKPLK4RETFLT3MAPK8

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
US-9695204-B2 Pharmaceutical process and intermediates RIGEL PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
WO-2009003136-A1 SUBSTITUTED PYRIMIDINE-2, 4 -DIAMINES FOR TREATING CELL PROLIFERATIVE DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2008-12-31 — — WO disclosed
WO-2008064274-A1 PRODRUG SALTS OF 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2008-05-29 — — WO disclosed
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