SCHEMBL3961130

SCHEMBL3961130

Cc1ccc(C(=O)N(CCN)CC(C)Cc2nc3snc(C)c3c(=O)n2Cc2ccccc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.53
KIF23 Q02241 1/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 1/20 0.35
KLK1 P06870 1/20 0.34

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
SCHEMBL3961161 0.96 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3958680 0.92 KIF11 (0.49) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3958171 0.92 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3964844 0.90 KIF11 (0.55) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL360705 0.87 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3961079 0.86 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3960546 0.84 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3960910 0.83 KIF11 (0.57) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3958203 0.83 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3961566 0.83 KIF11 (0.57) 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 6 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
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP claimed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO claimed
WO-2009037512-A1 THERAPEUTIC METHODS 013 ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed