SCHEMBL9835356

SCHEMBL9835356

CCC1Nc2cc3c(cc2N1)C(C)(C)C(=O)N3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.46
PDK2 Q15119 2/20 0.41
PDK4 Q16654 1/20 0.41
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
PGR P06401 9/20 0.39
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9835634 0.87 ATAD2 (0.44) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9834909 0.84 ATAD2 (0.42) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL10668135 0.83 ATAD2 (0.43) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9835231 0.82 ATAD2 (0.40) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9834972 0.81 ATAD2 (0.50) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL2492338 0.80 PGR (0.42) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9834067 0.80 ATAD2 (0.41) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9833719 0.80 ATAD2 (0.38) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9835271 0.80 ATAD2 (0.43) ATAD2PDK2PDK4PDE3BPDE3A
SCHEMBL9836092 0.79 ATAD2 (0.49) ATAD2PDK2PDK4PDE3BPDE3A

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
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed