SCHEMBL10567291

SCHEMBL10567291

CC1(C)C(=O)Nc2cc3[nH]c(-c4cn[nH]c4)nc3cc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.60
PDE3A Q14432 5/20 0.60
PDE4A P27815 4/20 0.60
PDE4B Q07343 4/20 0.60
PDE4C Q08493 4/20 0.60
PDE4D Q08499 4/20 0.60
AURKA O14965 4/20 0.53
AURKB Q96GD4 4/20 0.53
NPBWR1 P48145 2/20 0.40
ADORA2B P29275 5/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 1/20 0.35
PGR P06401 3/20 0.33
ATAD2 Q6PL18 1/20 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
SCHEMBL10566653 0.82 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10567830 0.82 PDE4A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10568428 0.81 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10375588 0.81 PDE4A (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10567444 0.81 PDE4A (0.41) PDE3BPDE3APDE4APDE4BPDE4C
Adibendan SCHEMBL9832050 0.80 PDE3B (0.90) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10566025 0.80 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10373374 0.79 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
Adibendan SCHEMBL10470994 0.79 PDE3B (0.88) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374221 0.79 PDE4A (0.68) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4835280-A Indoline compounds for synthesis of pharmaceutically active pyrrolobenzimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
US-4695567-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them and method of using them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-09-22 US disclosed
EP-0189103-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1986-07-30 EP disclosed