SCHEMBL10167983

SCHEMBL10167983

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

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.92
AURKA O14965 4/20 0.92
PLK4 O00444 2/20 0.92
STK16 O75716 2/20 0.92
RET P07949 2/20 0.92
FLT3 P36888 2/20 0.92
MAPK8 P45983 2/20 0.92
MAPK9 P45984 2/20 0.92
MST1R Q04912 2/20 0.92
PTK2 Q05397 2/20 0.92
TNK1 Q13470 2/20 0.92
IKBKE Q14164 2/20 0.92
MAP3K11 Q16584 2/20 0.92
ADCK1 Q86TW2 2/20 0.92
PIP4K2C Q8TBX8 2/20 0.92
NEK9 Q8TD19 2/20 0.92
AURKB Q96GD4 2/20 0.92
IRAK3 Q9Y616 2/20 0.92
LATS1 O95835 1/20 0.92
BRDT Q58F21 1/20 0.92

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 SCHEMBL1201371 0.96 SYK (1.00) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL29351337 0.96 SYK (1.00) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL16820327 0.95 SYK (0.99) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL22164570 0.95 SYK (0.99) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL28519986 0.94 SYK (0.97) SYKAURKAPLK4STK16RET
SCHEMBL12906324 0.93 SYK (0.92) SYKAURKAPLK4STK16RET
SCHEMBL2627479 0.93 SYK (0.92) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL12904057 0.93 SYK (0.93) SYKAURKAPLK4STK16RET
Fostamatinib SCHEMBL16820330 0.92 SYK (0.92) SYKAURKAPLK4STK16RET
SCHEMBL11937337 0.92 SYK (0.89) SYKAURKAPLK4STK16RET

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