SCHEMBL3467726

SCHEMBL3467726

FC(F)(F)Oc1ccc(-c2cnc3c(Nc4ccccc4)nccn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.57
▸ ATP1A1 P05023 1/20 0.48
▸ ATP1B1 P05026 1/20 0.48
▸ ATP1A3 P13637 1/20 0.48
▸ ATP1B2 P14415 1/20 0.48
▸ ATP1A2 P50993 1/20 0.48
▸ ATP1B3 P54709 1/20 0.48
▸ FXYD2 P54710 1/20 0.48
▸ ATP1A4 Q13733 1/20 0.48
▸ CTSC P53634 2/20 0.47
▸ DHODH Q02127 1/20 0.46
▸ SRC P12931 2/20 0.45
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 4/20 0.43
▸ BCR P11274 4/20 0.43
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 1/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL3466346 0.88 TTK (0.45) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5403304 0.84 FLT3 (0.50) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12409302 0.81 TTK (0.66) TTKSRCAURKAAURKBMAPKAPK5
SCHEMBL3466981 0.81 SRC (0.56) TTKSRCTP53SMN1; SMN2AURKA
SCHEMBL3469745 0.80 ABL1 (0.51) TTKABL1BCRAURKAAURKB
SCHEMBL3466944 0.79 DYRK1A (0.44) TTKCTSCDHODHABL1BCR
SCHEMBL3469554 0.78 TTK (0.64) TTKATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3469478 0.78 ABL1 (0.44) TTKCTSCABL1BCREPHX2
SCHEMBL3466296 0.77 POLB (0.48) TTKSRCABL1BCR
SCHEMBL30138985 0.77 MAPKAPK5 (0.62) TTKSRCAURKAAURKBMAPKAPK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO disclosed
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