SCHEMBL5008650

SCHEMBL5008650

CC(C)C(N)c1ccc2c(c1)C(C)(C)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.47
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
PDE3B Q13370 5/20 0.44
PDE3A Q14432 5/20 0.44
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
ATAD2 Q6PL18 1/20 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
SCHEMBL12545596 0.83 PDK2 (0.52) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL520415 0.73 PDK2 (0.55) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL7432516 0.73 PGR (0.49) PGRPDK2PDK4PDE3BPDE3A
Hydrochloric Acid SCHEMBL31507926 0.71 PDK2 (0.53) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL31238639 0.71 CYP1A2 (0.57) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL2265773 0.71 CYP1A2 (0.57) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL15457685 0.70 PDK2 (0.52) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL10828050 0.70 MAOB (0.51) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL5008425 0.70 MAOB (0.45) PGRPDK2PDK4PDE3BPDE3A
SCHEMBL12072640 0.69 PDK2 (0.55) PGRPDK2PDK4PDE3BPDE3A

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-1968950-A1 PYRIMIDINE KINASE INHIBITORS Genentech, Inc. (US) 2008-09-17 EP disclosed
WO-2007120339-A1 PYRIMIDINE KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 WO disclosed