SCHEMBL9832840

SCHEMBL9832840

CC/C=C(\C)c1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.47
PDE3A Q14432 7/20 0.47
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
AURKA O14965 3/20 0.44
AURKB Q96GD4 3/20 0.44
ATAD2 Q6PL18 1/20 0.33
PGR P06401 2/20 0.32
OPRL1 P41146 2/20 0.32
KCNH2 Q12809 2/20 0.32
PDK2 Q15119 2/20 0.31
PDK4 Q16654 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL9832842 1.00 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834704 0.88 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834702 0.88 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835173 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834055 0.76 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834059 0.76 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9833827 0.75 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834966 0.74 AURKA (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835632 0.74 KMT2A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834585 0.73 PDE3B (0.51) 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
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