SCHEMBL9835339

SCHEMBL9835339

CCC(=O)NC1Nc2cc3c(cc2N1)C(C)(C)C(=O)N3

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.42
MAPK14 Q16539 3/20 0.35
PGR P06401 6/20 0.35
PDK2 Q15119 2/20 0.34
PDK4 Q16654 1/20 0.34
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
FASN P49327 1/20 0.32
TP53 P04637 1/20 0.31
CACNA1H O95180 1/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL9833546 0.90 ATAD2 (0.38) ATAD2MAPK14PGRPDK2PDK4
SCHEMBL9834460 0.85 ATAD2 (0.42) ATAD2MAPK14PGRPDK2PDK4
SCHEMBL9835009 0.76 PDE3B (0.42) ATAD2MAPK14PGRPDE3BPDE3A
SCHEMBL9835356 0.75 ATAD2 (0.46) ATAD2PGRPDK2PDK4PDE3B
SCHEMBL10558345 0.74 GAA (0.43) MAPK14PGRTP53
SCHEMBL2489476 0.73 ATAD2 (0.42) ATAD2PGRPDK2PDK4PDE3B
SCHEMBL9834972 0.73 ATAD2 (0.50) ATAD2PGRPDK2PDK4PDE3B
SCHEMBL9834421 0.73 ALDH1A1 (0.41) MAPK14PGR
SCHEMBL9834224 0.72 ATAD2 (0.46) ATAD2MAPK14PGRPDK2PDK4
SCHEMBL9835271 0.71 ATAD2 (0.43) ATAD2MAPK14PGRPDK2PDK4

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