SCHEMBL27810092

SCHEMBL27810092

CC(C)(C)C(=O)On1nc(NC(=O)Nc2cccc(C(F)(F)F)n2)c2cc(-c3cn(Cc4ccccc4)nn3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 16/20 0.44
HIPK2 Q9H2X6 13/20 0.43
CLK2 P49760 13/20 0.43
DAPK3 O43293 12/20 0.43
CDK5 Q00535 12/20 0.43
DYRK1A Q13627 12/20 0.43
PAK4 O96013 11/20 0.43
PRKX P51817 11/20 0.43
MAP4K5 Q9Y4K4 11/20 0.43
CDK2 P24941 11/20 0.43
CSNK1A1 P48729 10/20 0.43
CDK7 P50613 10/20 0.43
MELK Q14680 10/20 0.43
CDK9 P50750 9/20 0.43
PRKACA P17612 8/20 0.43
ROCK2 O75116 8/20 0.43
MAP4K2 Q12851 7/20 0.43
GSK3B P49841 7/20 0.43
CLK4 Q9HAZ1 7/20 0.43
PRKD3 O94806 6/20 0.43

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
SCHEMBL27788221 0.86 CDC7 (0.46) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3673366 0.86 CDC7 (0.44) CDC7HIPK2CLK2DAPK3CDK5
Tert-Butyl Formate SCHEMBL27810094 0.78 CDC7 (0.61) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL27788231 0.78 ROCK2 (0.58) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3669600 0.69 CDC7 (0.52) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL4293896 0.67 CDC7 (0.64) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3667784 0.64 ROCK2 (0.65) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3668495 0.62 CDC7 (1.00) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3672059 0.62 ROCK2 (0.71) CDC7HIPK2CLK2DAPK3CDK5
SCHEMBL3666765 0.61 CDC7 (0.81) CDC7HIPK2CLK2DAPK3CDK5

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
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN disclosed