SCHEMBL4041958

SCHEMBL4041958

CC(C)CC(CO)NCc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.51
KIT P10721 6/20 0.51
AXL P30530 5/20 0.45
IRAK4 Q9NWZ3 3/20 0.43
JAK2 O60674 2/20 0.41
BACE1 P56817 2/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 3/20 0.40
SYK P43405 1/20 0.40
INSR P06213 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CDK1 P06493 1/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL4043036 0.89 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL12780690 0.89 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL12780688 0.89 FLT3 (0.53) FLT3KITAXLIRAK4JAK2
SCHEMBL4043618 0.88 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780687 0.81 FLT3 (0.51) FLT3KITAXLIRAK4JAK2
SCHEMBL4041335 0.81 FLT3 (0.51) FLT3KITAXLIRAK4JAK2
SCHEMBL4045933 0.78 FLT3 (0.70) FLT3KITAXLIRAK4JAK2
SCHEMBL4043415 0.78 FLT3 (0.60) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780729 0.78 FLT3 (0.60) FLT3KITIRAK4JAK2AURKA
SCHEMBL13963948 0.77 FLT3 (0.69) FLT3KITAXLIRAK4JAK2

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