SCHEMBL5758637

SCHEMBL5758637

Cc1ccc(C2=NC(C)(C)CN2CC(C)Cc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
TDP1 Q9NUW8 1/20 0.37
CASR P41180 1/20 0.37
CYP3A4 P08684 2/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
EGFR P00533 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL5756188 0.88 KIF11 (0.45) KIF11TDP1CASRCYP3A4MAP1LC3B
SCHEMBL4510504 0.84 KIF11 (0.47) KIF11TDP1CASRCYP3A4MAP1LC3B
SCHEMBL5752944 0.81 KIF11 (0.38) KIF11TDP1LMNAALDH1A1POLB
SCHEMBL5604490 0.74 KIF11 (0.54) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL5759177 0.74 KIF11 (0.54) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL5649781 0.74 TDP1 (0.51) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL5647619 0.73 TDP1 (0.55) KIF11TDP1CYP3A4MAP1LC3BCYP2C19
SCHEMBL13865432 0.73 KIF11 (0.52) KIF11TDP1CASRCYP3A4MAP1LC3B
SCHEMBL4520829 0.73 KIF11 (0.52) KIF11TDP1CASRCYP3A4MAP1LC3B
SCHEMBL5754110 0.73 MEN1 (0.40) KIF11TDP1CYP3A4MAP1LC3BCYP2C19

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