SCHEMBL4750947

SCHEMBL4750947

CCCN(CCCNC(=O)OC(C)(C)C)c1nc2nc3ccccc3cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
TLR7 Q9NYK1 6/20 0.43
TDP1 Q9NUW8 1/20 0.40
GNRHR P30968 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ENPP2 Q13822 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4092214 0.82 KIF11 (0.47) KIF11TLR7TDP1GNRHRPDE4A
SCHEMBL4750950 0.81 TLR7 (0.48) KIF11TLR7TDP1GNRHRPDE4A
SCHEMBL4753092 0.81 KIF11 (0.45) KIF11TLR7TDP1GNRHRKDM4E
SCHEMBL4753081 0.79 KIF11 (0.45) KIF11TLR7TDP1GNRHRKDM4E
SCHEMBL5246048 0.79 KIF11 (0.44) KIF11TLR7NPSR1
SCHEMBL5740657 0.79 KIF11 (0.46) KIF11TLR7
SCHEMBL4102093 0.71 KIF11 (0.46) KIF11TLR7TDP1GNRHRKDM4E
SCHEMBL4092061 0.70 PDE4A (0.61) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL5248649 0.70 KIF11 (0.45) KIF11TLR7GNRHR
SCHEMBL5250049 0.70 KIF11 (0.43) KIF11NPSR1TP53

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-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed