SCHEMBL4039634

SCHEMBL4039634

Nc1nc(Nc2ccc(F)cc2F)nn1-c1cc(Cl)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.45
IRAK4 Q9NWZ3 7/20 0.45
AURKA O14965 3/20 0.45
KIT P10721 5/20 0.42
JAK2 O60674 2/20 0.40
APP P05067 1/20 0.37
MAPK1 P28482 1/20 0.37
SLC34A1 Q06495 5/20 0.36
AXL P30530 2/20 0.36
INSR P06213 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4043796 0.83 FLT3 (0.61) FLT3IRAK4AURKAKITJAK2
SCHEMBL12780440 0.81 FLT3 (0.49) FLT3IRAK4AURKAKITJAK2
SCHEMBL4042194 0.81 FLT3 (0.46) FLT3IRAK4AURKAKITJAK2
SCHEMBL4040887 0.81 FLT3 (0.44) FLT3IRAK4AURKAKITJAK2
SCHEMBL4039328 0.80 FLT3 (0.63) FLT3IRAK4AURKAKITJAK2
SCHEMBL4040322 0.79 FLT3 (0.67) FLT3IRAK4AURKAKITJAK2
SCHEMBL4043675 0.78 AXL (0.45) FLT3IRAK4AURKAKITJAK2
SCHEMBL2086579 0.78 FLT3 (0.48) FLT3IRAK4AURKAKITJAK2
SCHEMBL4043938 0.76 AURKA (0.51) FLT3IRAK4AURKAKITAXL
SCHEMBL13963975 0.74 AXL (0.44) FLT3IRAK4AURKAKITJAK2

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