SCHEMBL13451897

SCHEMBL13451897

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.84
▸ PTK2 Q05397 5/20 0.84
▸ PLK4 O00444 3/20 0.84
▸ RET P07949 3/20 0.84
▸ FLT3 P36888 3/20 0.84
▸ MAPK8 P45983 3/20 0.84
▸ MAPK9 P45984 3/20 0.84
▸ AURKB Q96GD4 3/20 0.84
▸ AURKA O14965 2/20 0.84
▸ STK16 O75716 2/20 0.84
▸ MST1R Q04912 2/20 0.84
▸ TNK1 Q13470 2/20 0.84
▸ IKBKE Q14164 2/20 0.84
▸ MAP3K11 Q16584 2/20 0.84
▸ ADCK1 Q86TW2 2/20 0.84
▸ PIP4K2C Q8TBX8 2/20 0.84
▸ NEK9 Q8TD19 2/20 0.84
▸ IRAK3 Q9Y616 2/20 0.84
▸ LATS1 O95835 1/20 0.84
▸ BRDT Q58F21 1/20 0.84

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
SCHEMBL2627484 0.94 SYK (0.84) SYKPTK2PLK4RETFLT3
SCHEMBL20006821 0.93 SYK (0.82) SYKPTK2PLK4RETFLT3
SCHEMBL4108129 0.92 SYK (0.81) SYKPTK2PLK4RETFLT3
SCHEMBL17425860 0.92 SYK (0.83) SYKPTK2PLK4RETFLT3
SCHEMBL16682499 0.92 SYK (0.80) SYKPTK2PLK4RETFLT3
Fostamatinib SCHEMBL1201371 0.91 SYK (1.00) SYKPTK2PLK4RETFLT3
Fostamatinib SCHEMBL29351337 0.91 SYK (1.00) SYKPTK2PLK4RETFLT3
SCHEMBL16820329 0.91 SYK (0.89) SYKPTK2PLK4RETFLT3
Fostamatinib SCHEMBL22164570 0.91 SYK (0.99) SYKPTK2PLK4RETFLT3
SCHEMBL13451994 0.91 SYK (0.91) SYKPTK2PLK4RETFLT3

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-2161275-A1 Prodrugs of 2,4-pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2010-03-10 — — EP disclosed
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