SCHEMBL4038073

SCHEMBL4038073

Nc1nc(Nc2ccccc2)cc(-n2nc(Nc3ccc(N4CCOCC4)cc3F)nc2N)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.59
KIT P10721 6/20 0.59
IRAK4 Q9NWZ3 3/20 0.59
JAK2 O60674 1/20 0.59
AURKA O14965 1/20 0.47
AXL P30530 1/20 0.47
IGF1R P08069 1/20 0.46
MAPK10 P53779 3/20 0.43
MAPK9 P45984 2/20 0.43
PLK4 O00444 1/20 0.43
PIK3CB P42338 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 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
SCHEMBL4037777 0.92 FLT3 (0.58) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780402 0.89 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780406 0.89 FLT3 (0.61) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780409 0.82 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780748 0.82 FLT3 (0.86) FLT3KITIRAK4JAK2AURKA
SCHEMBL12845295 0.81 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL4041943 0.81 FLT3 (0.57) FLT3KITIRAK4JAK2AURKA
SCHEMBL4039001 0.80 FLT3 (0.64) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780638 0.79 FLT3 (0.55) FLT3KITIRAK4JAK2AURKA
SCHEMBL12780175 0.77 FLT3 (0.68) FLT3KITIRAK4JAK2AURKA

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