SCHEMBL6208130

SCHEMBL6208130

Cc1noc2nc(CC(C)CN)n(Cc3ccccc3)c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
DCTPP1 Q9H773 1/20 0.37
SLC26A6 Q9BXS9 2/20 0.37
BRD4 O60885 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 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
SCHEMBL6208219 0.89 SMN1; SMN2 (0.45) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3901729 0.89 SMN1; SMN2 (0.48) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5234446 0.88 BRD4 (0.42) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3871568 0.82 SMN1; SMN2 (0.53) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3962257 0.79 KIF11 (0.65) KIF11CYP2C19
SCHEMBL5232886 0.79 KIF11 (0.51) KIF11HPGDPDE4APDE4BPDE4C
SCHEMBL5246246 0.78 PDE4A (0.49) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4043063 0.78 SMN1; SMN2 (0.44) KIF11SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3872559 0.78 KIF11 (0.54) KIF11SMN1; SMN2HPGDDCTPP1SLC26A6
SCHEMBL5237790 0.78 SLC26A6 (0.41) KIF11SMN1; SMN2HPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed