SCHEMBL13617327

SCHEMBL13617327

Bc1ccc2c(c1)NC(=O)C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
MAPK14 Q16539 4/20 0.43
ATAD2 Q6PL18 1/20 0.43
PGR P06401 8/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
PDE3B Q13370 5/20 0.41
PDE3A Q14432 5/20 0.41
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38

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
SCHEMBL12072640 0.85 PDK2 (0.55) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL7433946 0.78 PDK2 (0.57) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL1223198 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL9559268 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL2272299 0.77 PGR (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL2144278 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL1972936 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL496554 0.77 PDK2 (0.55) PDK2PDK4MAPK14ATAD2PGR
SCHEMBL13088966 0.77 PGR (0.44) PGR
Hydrochloric Acid SCHEMBL7276702 0.76 PDK2 (0.53) PDK2PDK4MAPK14ATAD2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132774-A1 NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S. A. (ES) 2009-11-05 WO disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP disclosed