SCHEMBL5754399

SCHEMBL5754399

Cc1ccc(C2(CC(C)Cc3nc4cc(Cl)ccc4c(=O)n3Cc3ccccc3)NCC(C)(C)N2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.40
CYP3A4 P08684 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HTT P42858 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL5753980 0.95 KIF11 (0.39) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5756600 0.93 KIF11 (0.41) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5753650 0.93 KIF11 (0.46) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5752111 0.92 KIF11 (0.40) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5757282 0.91 KIF11 (0.42) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5755201 0.90 KIF11 (0.40) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5756160 0.90 KIF11 (0.43) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5755648 0.89 KIF11 (0.41) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5755734 0.89 PDE10A (0.40) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL5754591 0.88 KIF11 (0.38) 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