SCHEMBL4043036

SCHEMBL4043036

CC(C)CC(CO)Nc1cc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)ncn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.53
KIT P10721 7/20 0.53
AXL P30530 4/20 0.46
IRAK4 Q9NWZ3 4/20 0.44
AURKA O14965 2/20 0.43
JAK2 O60674 2/20 0.42
SYK P43405 1/20 0.42
BACE1 P56817 2/20 0.42
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CDK1 P06493 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL12780690 1.00 FLT3 (0.53) FLT3KITAXLIRAK4AURKA
SCHEMBL12780688 1.00 FLT3 (0.53) FLT3KITAXLIRAK4AURKA
SCHEMBL4041958 0.89 FLT3 (0.51) FLT3KITAXLIRAK4AURKA
SCHEMBL12780729 0.88 FLT3 (0.60) FLT3KITIRAK4AURKAJAK2
SCHEMBL4043415 0.88 FLT3 (0.60) FLT3KITIRAK4AURKAJAK2
SCHEMBL12780520 0.85 FLT3 (0.48) FLT3KITAXLIRAK4AURKA
SCHEMBL4047032 0.85 FLT3 (0.48) FLT3KITAXLIRAK4AURKA
SCHEMBL12780517 0.85 FLT3 (0.48) FLT3KITAXLIRAK4AURKA
SCHEMBL12781430 0.83 CDK1 (0.42) FLT3KITAXLIRAK4AURKA
SCHEMBL12780687 0.83 FLT3 (0.51) FLT3KITAXLIRAK4AURKA

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