SCHEMBL2278409

SCHEMBL2278409

CN(C)CCOc1cc(-c2cnc3[nH]cc(C(=O)OCC(C)(C)C(N)=O)c3n2)cc(N2CCC(C)(C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.38
KCNH2 Q12809 4/20 0.36
CYP2D6 P10635 2/20 0.36
MAP4K1 Q92918 1/20 0.36
NTRK1 P04629 1/20 0.35
CYP2C9 P11712 3/20 0.34
JAK3 P52333 2/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PKN2 Q16513 1/20 0.33
PIM3 Q86V86 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
AURKB Q96GD4 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK17A Q9UEE5 1/20 0.33

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
SCHEMBL2273339 0.88 JAK3 (0.43) SYKKCNH2CYP2D6MAP4K1CYP2C9
SCHEMBL3063499 0.87 MAP4K1 (0.40) SYKKCNH2CYP2D6MAP4K1NTRK1
SCHEMBL2274317 0.86 SYK (0.39) SYKKCNH2CYP2D6MAP4K1CYP2C9
SCHEMBL2278401 0.84 SYK (0.41) SYKKCNH2CYP2D6MAP4K1CYP2C9
SCHEMBL2345331 0.78 MAP4K1 (0.38) SYKKCNH2CYP2D6MAP4K1NTRK1
SCHEMBL1368438 0.78 JAK3 (0.48) JAK3
SCHEMBL2277129 0.77 SYK (0.44) SYKKCNH2CYP2D6CYP2C9JAK3
SCHEMBL2343883 0.76 JAK3 (0.39) SYKKCNH2MAP4K1CYP2C9JAK3
SCHEMBL2275753 0.76 SYK (0.41) SYKKCNH2CYP2D6CYP2C9JAK3
SCHEMBL2275620 0.76 JAK3 (0.43) SYKKCNH2CYP2D6MAP4K1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US claimed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed