SCHEMBL9834485

SCHEMBL9834485

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.49
PDE3A Q14432 7/20 0.49
PDE4A P27815 6/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
ATM Q13315 1/20 0.42
ATAD2 Q6PL18 1/20 0.36
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
ADAMTS5 Q9UNA0 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
SCHEMBL9834489 1.00 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834055 0.86 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834059 0.86 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9832377 0.85 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10477800 0.84 NPC1 (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9833191 0.83 PDE4A (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9833827 0.83 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9832948 0.82 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9832953 0.82 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835173 0.79 PDE3B (0.54) 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