SCHEMBL5780689

SCHEMBL5780689

CC(C)Cn1c(C(=N)N(C)C)nc2ccc(-c3c(-c4ccccc4)nc(-c4c(F)cccc4F)n3C)nc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
DYRK1A Q13627 6/20 0.35
DYRK2 Q92630 6/20 0.35
CLK1 P49759 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK9 P50750 2/20 0.33
FABP4 P15090 1/20 0.33

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
SCHEMBL4530604 0.87 MAPK14 (0.51) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL3992817 0.84 MAPK14 (0.66) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL29593607 0.84 MAPK14 (0.66) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL4300769 0.82 MAPK14 (0.47) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL4300771 0.82 MAPK14 (0.47) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL29594245 0.73 MAPK14 (0.54) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL4069800 0.73 MAPK14 (0.54) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL3997550 0.73 MAPK14 (0.40) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL3997548 0.73 MAPK14 (0.40) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL4528981 0.68 MAPK14 (0.40) MAPK14DYRK1ADYRK2CLK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 WO disclosed