SCHEMBL10374338

SCHEMBL10374338

COc1cc(OS(=O)(=O)C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.45
PDE3B Q13370 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
AMY1A P0DUB6 9/20 0.37
PDE2A O00408 1/20 0.37
RUNX1 Q01196 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDE5A O76074 1/20 0.34

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
SCHEMBL10375358 0.90 PDE3B (0.47) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10376019 0.89 AMY1A (0.36) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10374322 0.88 PDE3B (0.45) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10373442 0.82 PDE3B (0.48) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10373891 0.81 PDE3B (0.47) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10375221 0.81 RUNX1 (0.37) PDE3APDE3BAMY1APDE2ARUNX1
SCHEMBL10478102 0.81 PDE3B (0.45) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10374060 0.81 PDE3B (0.51) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10373229 0.80 PDE4D (0.47) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10372876 0.80 PDE4A (0.48) PDE3APDE3BPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186010-B1 PYRROLO BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1990-01-31 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0186010-A1 Pyrrolo benzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1986-07-02 EP disclosed