SCHEMBL5754463

SCHEMBL5754463

C[C@@H](CNC[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MAPT P10636 2/20 0.40
KIF11 P52732 3/20 0.39
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 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
SCHEMBL5756255 0.86 KIF11 (0.51) SYKMAPTKIF11MAP1LC3BCYP3A4
SCHEMBL4524963 0.83 MAPT (0.43) SYKMAPTKIF11MAP1LC3BCYP3A4
SCHEMBL5754954 0.81 KIF11 (0.43) KIF11BRD4POLBMAP1LC3BCYP3A4
SCHEMBL5754455 0.80 MAPT (0.43) SYKMAPTKIF11MAP1LC3BCYP3A4
SCHEMBL4753094 0.80 GNRHR (0.41) MAPTKIF11BRD4CYP3A4
SCHEMBL4515735 0.76 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL13289742 0.76 SYK (0.61) SYKMAPTL3MBTL1POLBMAPK1
SCHEMBL5647214 0.75 KIF11 (0.48) KIF11BRD4MAP1LC3BCYP3A4CYP2C19
SCHEMBL5650348 0.75 KIF11 (0.48) KIF11BRD4MAP1LC3BCYP3A4CYP2C19
SCHEMBL5753899 0.74 KIF11 (0.46) KIF11POLBMAP1LC3BCYP3A4CYP2C19

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-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed