SCHEMBL3961772

SCHEMBL3961772

Cc1ccc(C(=O)N(CCCN)CCCc2nc3onc(C)c3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.67
KIF23 Q02241 1/20 0.49
MAP1LC3B Q9GZQ8 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 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
SCHEMBL6206668 0.94 KIF11 (0.59) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6209044 0.92 KIF11 (0.57) KIF11KIF23
SCHEMBL6207965 0.91 KIF11 (0.56) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL5739696 0.90 KIF11 (0.55) KIF11KIF23
SCHEMBL4859195 0.89 KIF11 (0.54) KIF11KIF23
SCHEMBL3962257 0.88 KIF11 (0.65) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL6209290 0.86 KIF11 (0.52) KIF11KIF23
SCHEMBL3905973 0.86 KIF11 (0.51) KIF11KIF23
SCHEMBL3966803 0.84 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3957538 0.81 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009037512-A1 THERAPEUTIC METHODS 013 ASTRAZENECA AB (SE) 2009-03-26 WO claimed
WO-2008122798-A2 PHARMACEUTICAL COMPOSITION OF AN EG5 INHIBITOR AND A MICROTUBULE INTERFERING AGENT FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-16 WO claimed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP claimed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO claimed
WO-2009037512-A1 THERAPEUTIC METHODS 013 ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
WO-2008122798-A2 PHARMACEUTICAL COMPOSITION OF AN EG5 INHIBITOR AND A MICROTUBULE INTERFERING AGENT FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-16 WO disclosed
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