SCHEMBL20008409

SCHEMBL20008409

CCC1CN(/C(=C/C(=C\C=O)c2cc(C)cnc2C)N(C)C)CCO1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 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
SCHEMBL20008405 0.80 OPRK1 (0.32)
SCHEMBL17893277 0.58 PDK1 (0.44) PDK1
SCHEMBL8425994 0.58 PDK1 (0.48) PDK1
SCHEMBL18528191 0.58 PDK1 (0.44) PDK1
SCHEMBL23710200 0.58 TSHR (0.54) PDK1
SCHEMBL14971324 0.58 HPGD (0.47) PDK1
SCHEMBL22732900 0.58 HPGD (0.47) PDK1
SCHEMBL22732982 0.58 HPGD (0.47) PDK1
SCHEMBL23710005 0.58 TSHR (0.54) PDK1
SCHEMBL19002271 0.58 TSHR (0.54) PDK1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed