SCHEMBL13963614

SCHEMBL13963614

COc1cc(Nc2nc(N)n(-c3nc4cc(C)c(C)cc4[nH]3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.57
▸ AXL P30530 1/20 0.53
▸ AURKA O14965 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL12780858 0.85 FLT3 (0.66) FLT3AXLAURKAJAK2KIT
SCHEMBL12781033 0.78 FLT3 (0.58) FLT3AXLAURKAJAK2KIT
SCHEMBL4036749 0.73 FLT3 (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4038405 0.73 AXL (0.64) FLT3AXLAURKAJAK2KIT
SCHEMBL4047467 0.72 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4038683 0.72 FLT3 (0.61) FLT3AXLAURKAJAK2KIT
SCHEMBL12781032 0.71 FLT3 (0.60) FLT3AXLAURKAJAK2KIT
SCHEMBL4039143 0.70 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4040345 0.70 AXL (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL12780903 0.69 FLT3 (0.67) 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
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