SCHEMBL9378993

SCHEMBL9378993

CC1(C)CC(=O)Nc2cc3nc(-c4cnns4)[nH]c3cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
RARB P10826 1/20 0.31
RARG P13631 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
SCHEMBL9380784 0.80 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9703439 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10567527 0.78 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9382546 0.78 AURKA (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378934 0.78 AURKA (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379049 0.78 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378253 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9378391 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379359 0.76 PDE3B (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379053 0.76 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DPDE3B

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-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed