SCHEMBL4046310

SCHEMBL4046310

CCC(NCCN(C)C)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.53
KIF23 Q02241 1/20 0.50
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL4039298 0.95 KIF11 (0.54) KIF11KIF23MEN1KMT2AGAA
SCHEMBL4039243 0.87 KIF11 (0.53) KIF11KIF23MEN1KMT2AGAA
SCHEMBL3867071 0.87 KIF11 (0.59) KIF11KIF23GAAMAPTNPSR1
Hydrochloric Acid SCHEMBL3873756 0.86 KIF11 (0.59) KIF11KIF23GAAMAPTNPSR1
SCHEMBL5100450 0.83 MEN1 (0.45) KIF11MEN1KMT2AGAAMAPT
SCHEMBL4039832 0.81 KIF11 (0.48) KIF11KIF23GAAMAPTNPSR1
SCHEMBL5100270 0.81 KIF11 (0.51) KIF11MEN1KMT2AGAAMAPT
SCHEMBL3866928 0.81 KIF11 (0.52) KIF11KIF23
SCHEMBL3837879 0.80 MEN1 (0.41) KIF11MEN1KMT2AGAAMAPT
SCHEMBL3838937 0.80 KIF11 (0.40) KIF11MEN1KMT2AGAAMAPT

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-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed