SCHEMBL5616573

SCHEMBL5616573

CC(=O)Nc1cc2c(C=Cc3ccccc3)n[nH]c2cc1N1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 11/20 0.65
AURKA O14965 12/20 0.62
KDR P35968 6/20 0.51
FGFR1 P11362 2/20 0.50
CHEK1 O14757 1/20 0.45
KIT P10721 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL14538910 1.00 AURKB (0.65) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5616526 0.90 AURKB (0.62) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594005 0.90 AURKB (0.62) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594000 0.90 AURKB (0.62) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5616527 0.90 AURKB (0.62) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL14539062 0.89 AURKB (0.61) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594088 0.89 AURKA (0.66) AURKBAURKAKDRCHEK1KIT
SCHEMBL5604292 0.88 AURKA (0.65) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5593785 0.88 AURKA (0.65) AURKBAURKAKDRCHEK1KIT
SCHEMBL5604288 0.88 AURKA (0.65) AURKBAURKAKDRFGFR1CHEK1

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