SCHEMBL5753899

SCHEMBL5753899

CC(CNCC(C)(C)N)Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.42
EGFR P00533 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
PDE1C Q14123 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5754954 0.85 KIF11 (0.43) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL5759177 0.83 KIF11 (0.54) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5604490 0.83 KIF11 (0.54) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5649781 0.81 TDP1 (0.51) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5647619 0.81 TDP1 (0.55) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5604623 0.80 TDP1 (0.40) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5751997 0.79 KIF11 (0.45) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL4518988 0.79 KIF11 (0.51) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5521487 0.78 KIF11 (0.48) KIF11TDP1CYP3A4EGFRMAP1LC3B
SCHEMBL5753869 0.76 KIF11 (0.47) KIF11TDP1CYP3A4EGFRMAP1LC3B

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