SCHEMBL4038658

SCHEMBL4038658

COc1cc(Nc2nc(N)n(-c3ccc(I)cc3F)n2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.61
AXL P30530 1/20 0.57
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
KIT P10721 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
PTK2 Q05397 1/20 0.41

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
SCHEMBL4036286 0.89 FLT3 (0.64) FLT3AXLAURKAJAK2KIT
SCHEMBL4039143 0.86 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4044479 0.85 FLT3 (0.58) FLT3AXLAURKAJAK2KIT
SCHEMBL4036749 0.76 FLT3 (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4047467 0.75 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4044001 0.75 FLT3 (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL2086939 0.73 FLT3 (0.57) FLT3AXLJAK2KITIRAK4
SCHEMBL4040345 0.73 AXL (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4046909 0.72 FLT3 (0.72) FLT3AXLAURKAJAK2KIT
SCHEMBL4038352 0.72 FLT3 (0.80) FLT3AXLAURKAJAK2KIT

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