Sugi Predict

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SCHEMBL5604288

SCHEMBL5604288

COCC(=O)Nc1cc2c(/C=C/c3ccccc3)n[nH]c2cc1N1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.65
▸ AURKB Q96GD4 12/20 0.65
▸ KIT P10721 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ CHEK1 O14757 1/20 0.42

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
SCHEMBL5604292 1.00 AURKA (0.65) AURKAAURKBKITFLT3MEN1
SCHEMBL5594088 0.90 AURKA (0.66) AURKAAURKBKITFLT3KDR
SCHEMBL5593785 0.90 AURKA (0.65) AURKAAURKBKITFLT3KDR
SCHEMBL5616573 0.88 AURKB (0.65) AURKAAURKBKITFLT3KDR
SCHEMBL14538910 0.88 AURKB (0.65) AURKAAURKBKITFLT3KDR
SCHEMBL14538868 0.88 AURKA (0.63) AURKAAURKBKITFLT3KDR
SCHEMBL14538875 0.86 AURKA (0.60) AURKAAURKBKITFLT3KDR
SCHEMBL5594005 0.86 AURKB (0.62) AURKAAURKBKITFLT3KDR
SCHEMBL5594000 0.86 AURKB (0.62) AURKAAURKBKITFLT3KDR
SCHEMBL5616526 0.86 AURKB (0.62) AURKAAURKBKITFLT3KDR

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
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 — — WO claimed