SCHEMBL6848405

SCHEMBL6848405

CC(C)(C)OC(=O)ON1CCn2cc(C3=C(c4cn5c6c(cccc46)CCC5)C(=O)NC3=O)c3cccc(c32)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.50
GSK3A P49840 18/20 0.50
PRKCB P05771 3/20 0.45
CDK4 P11802 3/20 0.45
CDK2 P24941 3/20 0.45
PDK1 Q15118 2/20 0.45
TGFBR2 P37173 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45

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
SCHEMBL6848157 0.88 GSK3B (0.46) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6849576 0.87 GSK3B (0.46) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6849043 0.86 GSK3B (0.47) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6806993 0.85 GSK3B (0.58) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6850793 0.82 GSK3B (0.43) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL1395873 0.74 GSK3B (0.52) GSK3BGSK3APRKCB
SCHEMBL6803325 0.74 GSK3B (0.54) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6329398 0.74 CDK4 (0.44) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6328643 0.74 CAMK2D (0.49) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL6806997 0.73 GSK3B (0.46) GSK3BGSK3APRKCBCDK4CDK2

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-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP claimed