SCHEMBL5754954

SCHEMBL5754954

CC(CNCC(C)(C)NC(=O)OC(C)(C)C)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.43
CYP3A4 P08684 3/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
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 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL5753899 0.85 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4513091 0.81 KIF11 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754463 0.81 SYK (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4753094 0.78 GNRHR (0.41) KIF11CYP3A4TDP1KDM4ESMN1; SMN2
SCHEMBL5754170 0.78 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14078147 0.77 KIF11 (0.47) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5751997 0.77 KIF11 (0.45) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5604490 0.76 KIF11 (0.54) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5759177 0.76 KIF11 (0.54) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5649781 0.76 TDP1 (0.51) 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