SCHEMBL5396014

SCHEMBL5396014

Cc1c(C#N)nc(C(C(C)C)N(CCCN)C(=O)c2ccc(OC(F)(F)F)c(F)c2)n(Cc2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.59
KIF23 Q02241 1/20 0.55
MAP1LC3B Q9GZQ8 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL4367396 0.91 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4371762 0.91 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4363480 0.90 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4361632 0.90 KIF11 (0.72) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4374528 0.89 KIF11 (0.58) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4364309 0.88 KIF11 (0.61) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4365685 0.87 KIF11 (0.59) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4368374 0.87 KIF11 (0.59) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4367439 0.86 KIF11 (0.70) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL4373129 0.85 KIF11 (0.63) KIF11KIF23MAP1LC3BCYP3A4CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166595-B2 Compounds, methods and compositions CYTOKINETICS, INC. (US) 2007-01-23 US disclosed