SCHEMBL9833712

SCHEMBL9833712

CCCC=CCc1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AURKA O14965 3/20 0.43
AURKB Q96GD4 3/20 0.43
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
MEN1 O00255 1/20 0.30
PSMD14 O00487 1/20 0.30
MMP2 P08253 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PDK2 Q15119 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
SCHEMBL9833708 1.00 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835632 0.83 KMT2A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835346 0.82 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834905 0.81 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835224 0.79 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834481 0.79 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10668127 0.77 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9832948 0.76 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9832953 0.76 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2492335 0.75 PDE3B (0.49) 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