SCHEMBL4039090

SCHEMBL4039090

CCC(NCC1CCCN(C(=O)OC(C)(C)C)C1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
BCHE P06276 4/20 0.43
KIF11 P52732 2/20 0.43
ACKR3 P25106 1/20 0.43
KIF23 Q02241 1/20 0.40
KDM1A O60341 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
METTL3 Q86U44 1/20 0.39
FEN1 P39748 1/20 0.38
BRD4 O60885 3/20 0.38
EEF2K O00418 1/20 0.37
USP30 Q70CQ3 1/20 0.37
KAT7 O95251 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36

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
SCHEMBL4036178 0.93 KIF11 (0.46) HTR6BCHEKIF11KIF23GPR119
SCHEMBL5899029 0.77 KIF11 (0.47) KIF11KIF23BRD4
SCHEMBL4046310 0.72 KIF11 (0.53) KIF11KIF23
SCHEMBL27406174 0.68 ACKR3 (0.54) HTR6BCHEACKR3KDM1AFEN1
SCHEMBL6214983 0.67 ACKR3 (0.57) HTR6BCHEACKR3KDM1AGPR119
SCHEMBL8237687 0.67 ACKR3 (0.57) HTR6BCHEACKR3KDM1AGPR119
SCHEMBL5871116 0.66 ACKR3 (0.67) HTR6BCHEACKR3KDM1AGPR119
SCHEMBL5870792 0.66 ACKR3 (0.67) HTR6BCHEACKR3KDM1AGPR119
SCHEMBL2959964 0.66 HTR6 (0.54) HTR6BCHEACKR3KDM1AGPR119
SCHEMBL2959968 0.66 HTR6 (0.54) HTR6BCHEACKR3KDM1AGPR119

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