SCHEMBL4367307

SCHEMBL4367307

CC(O)CC(C)CNc1cc(-n2nc(Nc3ccccc3)nc2N)ncn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.49
KIT P10721 8/20 0.49
AURKA O14965 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
AXL P30530 4/20 0.39
JAK2 O60674 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
BACE1 P56817 2/20 0.36
HRH4 Q9H3N8 2/20 0.36

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
SCHEMBL4038128 0.81 FLT3 (0.47) FLT3KITAURKAIRAK4AXL
SCHEMBL12780516 0.81 FLT3 (0.47) FLT3KITAURKAIRAK4AXL
SCHEMBL12779811 0.81 FLT3 (0.50) FLT3KITAURKAIRAK4AXL
SCHEMBL12780020 0.81 KIT (0.52) FLT3KITAURKAIRAK4AXL
SCHEMBL4047032 0.80 FLT3 (0.48) FLT3KITAURKAIRAK4AXL
SCHEMBL12780520 0.80 FLT3 (0.48) FLT3KITAURKAIRAK4AXL
SCHEMBL12780517 0.80 FLT3 (0.48) FLT3KITAURKAIRAK4AXL
SCHEMBL4036619 0.80 FLT3 (0.45) FLT3KITAURKAIRAK4AXL
SCHEMBL12780541 0.80 FLT3 (0.45) FLT3KITAURKAIRAK4AXL
SCHEMBL4043076 0.79 FLT3 (0.73) FLT3KITAURKAIRAK4AXL

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-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed