SCHEMBL6209044

SCHEMBL6209044

COc1ccc(C(=O)N(CCCN)CCCc2nc3onc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.57
KIF23 Q02241 1/20 0.42
KLK1 P06870 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR1 Q92633 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL3961772 0.92 KIF11 (0.67) KIF11KIF23
SCHEMBL6206668 0.91 KIF11 (0.59) KIF11KIF23
SCHEMBL6207965 0.88 KIF11 (0.56) KIF11KIF23
SCHEMBL6209290 0.83 KIF11 (0.52) KIF11KIF23
SCHEMBL5739696 0.83 KIF11 (0.55) KIF11KIF23TSHR
SCHEMBL4859195 0.81 KIF11 (0.54) KIF11KIF23
SCHEMBL4038794 0.81 KIF11 (0.86) KIF11
SCHEMBL3962257 0.81 KIF11 (0.65) KIF11KIF23
Hydrochloric Acid SCHEMBL4039994 0.81 KIF11 (0.85) KIF11
SCHEMBL3905973 0.80 KIF11 (0.51) KIF11KIF23

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
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed