SCHEMBL5754110

SCHEMBL5754110

Cc1ccc(C2=NC(C)(C)CN2CC(C)Cc2cc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KIF11 P52732 3/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
DHFR P00374 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL5754107 0.80 ALDH1A1 (0.41) MEN1ALDH1A1KMT2APTGS1PTGS2
SCHEMBL5756188 0.78 KIF11 (0.45) MEN1ALDH1A1KMT2AKIF11MAP1LC3B
SCHEMBL5752944 0.76 KIF11 (0.38) MEN1ALDH1A1KMT2AKIF11TDP1
SCHEMBL5755084 0.75 PTGS1 (0.49) PTGS1PTGS2KIF11MAP1LC3BCYP3A4
SCHEMBL4514039 0.74 KIF11 (0.50) MEN1ALDH1A1KMT2AKIF11MAP1LC3B
SCHEMBL5864327 0.73 CYP2C19 (0.40) MEN1ALDH1A1KMT2APTGS1PTGS2
SCHEMBL4424235 0.73 KIF11 (0.47) MEN1KMT2AKIF11KCNH2MAPK8
SCHEMBL5758637 0.73 KIF11 (0.41) ALDH1A1KMT2APTGS1PTGS2KIF11
SCHEMBL5786959 0.73 L3MBTL1 (0.37) ALDH1A1PTGS1PTGS2KIF11MAP1LC3B
SCHEMBL5863996 0.72 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
EP-1556357-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-27 EP disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 WO disclosed