SCHEMBL5593867

SCHEMBL5593867

CC(=O)Nc1cc2c(C=Cc3cccc(C(N)=O)c3)n[nH]c2cc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 0.56
AURKA O14965 9/20 0.56
KDR P35968 9/20 0.47
FGFR1 P11362 2/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL5593870 0.89 AURKB (0.58) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5594245 0.88 AURKB (0.70) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL14539053 0.82 AURKB (0.81) AURKBAURKAKDRFGFR1
SCHEMBL5593800 0.81 AURKB (0.70) AURKBAURKAKDRCHEK1
SCHEMBL5616573 0.81 AURKB (0.65) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL14538910 0.81 AURKB (0.65) AURKBAURKAKDRFGFR1CHEK1
SCHEMBL5616552 0.81 AURKB (0.61) AURKBAURKAKDRCHEK1
SCHEMBL14539154 0.77 AURKB (0.54) AURKBAURKAKDRFGFR1
SCHEMBL14539036 0.76 AURKB (0.59) AURKBAURKAKDRFGFR1
SCHEMBL5593696 0.76 AURKB (0.59) AURKBAURKAKDRFGFR1

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