SCHEMBL5754008

SCHEMBL5754008

Cc1ccc(C(=O)NC(C)(C)CN(CC(C)C)c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.55
CYP3A4 P08684 2/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL5754170 0.83 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4518879 0.82 KIF11 (0.61) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL6358669 0.71 KIF11 (1.00) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754455 0.69 MAPT (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4507675 0.68 KIF11 (0.62) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5108306 0.68 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL6454042 0.67 KIF11 (0.62) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5647619 0.66 TDP1 (0.55) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL27663073 0.65 TDP1 (0.48) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL1882530 0.65 SMN1; SMN2 (0.62) KIF11CYP3A4MEN1KMT2AHDAC1

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