SCHEMBL4059923

SCHEMBL4059923

CCN(NC(c1nc2snc(C)c2c(=O)n1Cc1ccccc1)C(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.50
KIF23 Q02241 1/20 0.50
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.34
P2RX7 Q99572 2/20 0.33
MAPK1 P28482 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3863849 0.82 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4057634 0.82 KIF11 (0.51) KIF11KIF23KDM4EGAAMAPT
SCHEMBL3866928 0.76 KIF11 (0.52) KIF11KIF23
SCHEMBL3871323 0.76 KIF11 (0.49) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4039832 0.75 KIF11 (0.48) KIF11KIF23KDM4EGAAMAPT
SCHEMBL5316065 0.75 KIF11 (0.56) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4044893 0.74 KIF11 (0.42) KIF11KIF23GAAALDH1A1
SCHEMBL4061532 0.74 KIF11 (0.41) KIF11KIF23MAPTALDH1A1
SCHEMBL5899029 0.73 KIF11 (0.47) KIF11KIF23KDM4EGAAMAPT
SCHEMBL4063001 0.73 KIF11 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed