SCHEMBL4752600

SCHEMBL4752600

CC(CNCCCNC(=O)OC(C)(C)C)Cc1nc2c(sc3ncccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
TLR7 Q9NYK1 7/20 0.39
CYP3A4 P08684 2/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ENPP2 Q13822 1/20 0.35
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.35

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
SCHEMBL4101940 0.83 KIF11 (0.45) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL4752599 0.81 KIF11 (0.46) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL4753094 0.79 GNRHR (0.41) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL4753082 0.79 TLR7 (0.41) KIF11TLR7CYP3A4SCN9ASCN10A
SCHEMBL5248653 0.79 KIF11 (0.42) KIF11TLR7CYP3A4
SCHEMBL4754113 0.78 PDE4A (0.43) TLR7ALDH1A1HPGDSMN1; SMN2PDE4A
SCHEMBL4101670 0.78 PDE4A (0.46) TLR7ALDH1A1HPGDSMN1; SMN2PDE4A
SCHEMBL5250052 0.76 KIF11 (0.40) KIF11TLR7SMN1; SMN2
SCHEMBL5325935 0.75 KIF11 (0.39) KIF11TLR7L3MBTL1
SCHEMBL5754463 0.69 SYK (0.43) KIF11CYP3A4L3MBTL1

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
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed