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SCHEMBL4044332

SCHEMBL4044332

Cc1ccc(C(=O)N(CCCNC(=O)OC(C)(C)C)C(c2nc3onc(C)c3c(=O)n2Cc2ccc(F)cc2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 15/20 0.52
▸ KIF23 Q02241 1/20 0.48
▸ MAP1LC3B Q9GZQ8 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE6D O43924 3/20 0.41

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
SCHEMBL4218137 0.94 KIF11 (0.49) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865232 0.93 KIF11 (0.60) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3869131 0.92 KIF11 (0.52) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865933 0.86 KIF11 (0.69) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3871270 0.86 KIF11 (0.69) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3865929 0.86 KIF11 (0.69) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3868225 0.85 KIF11 (0.68) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL3868223 0.85 KIF11 (0.67) KIF11KIF23MAP1LC3BCYP3A4CYP2C19
SCHEMBL3887257 0.84 KIF11 (0.75) KIF11
SCHEMBL4042343 0.82 KIF11 (0.38) KIF11

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
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 — — EP disclosed