SCHEMBL5754170

SCHEMBL5754170

CC(C)CN(CC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
CYP3A4 P08684 2/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2C9 P11712 1/20 0.38
PTGER1 P34995 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
EGFR P00533 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
P2RX3 P56373 1/20 0.37

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
SCHEMBL5754008 0.83 KIF11 (0.55) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4513091 0.80 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754455 0.80 MAPT (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5533059 0.79 KIF11 (0.53) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754954 0.78 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4753092 0.76 KIF11 (0.45) KIF11TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5648475 0.76 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5649327 0.76 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5646819 0.76 KIF11 (0.50) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5523051 0.73 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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