SCHEMBL4036178

SCHEMBL4036178

CCC(NCC1CN(C(=O)OC(C)(C)C)C1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
BRD4 O60885 4/20 0.44
KIF23 Q02241 1/20 0.43
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
HTR6 P50406 3/20 0.37
P2RX3 P56373 2/20 0.37
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP10 P09238 2/20 0.36
MMP12 P39900 2/20 0.36
MMP8 P22894 1/20 0.35
TP53 P04637 1/20 0.35
BCHE P06276 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
SCHEMBL4039090 0.93 HTR6 (0.46) KIF11BRD4KIF23GPR119HTR6
SCHEMBL5899029 0.80 KIF11 (0.47) KIF11BRD4KIF23TP53
SCHEMBL3866928 0.79 KIF11 (0.52) KIF11KIF23
SCHEMBL3867071 0.75 KIF11 (0.59) KIF11KIF23
SCHEMBL4046310 0.75 KIF11 (0.53) KIF11KIF23
SCHEMBL4039298 0.73 KIF11 (0.54) KIF11KIF23
SCHEMBL4059923 0.72 KIF11 (0.50) KIF11KIF23TP53
SCHEMBL3863849 0.72 KIF11 (0.49) KIF11BRD4KIF23
SCHEMBL5742313 0.71 KIF11 (0.58) KIF11KIF23TP53
SCHEMBL3868894 0.71 KIF11 (0.56) KIF11KIF23TP53

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