SCHEMBL9834236

SCHEMBL9834236

CC1(C)C(=O)Nc2cc3nn[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
AURKB Q96GD4 3/20 0.51
PDE3B Q13370 8/20 0.49
PDE3A Q14432 8/20 0.49
PDE4A P27815 7/20 0.49
PDE4B Q07343 7/20 0.49
PDE4C Q08493 7/20 0.49
PDE4D Q08499 7/20 0.49
ATAD2 Q6PL18 1/20 0.41
PGR P06401 7/20 0.41
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL9832737 0.81 AURKA (0.36) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL9833260 0.81 PGR (0.39) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL9835188 0.80 PGR (0.43) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL10560992 0.80 AURKA (0.35) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL9834204 0.77 AURKA (0.33) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL9141488 0.75 PDE3B (0.50) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL19654727 0.70 MAPT (0.40)
SCHEMBL24132013 0.69
SCHEMBL9833629 0.69 PDE3B (0.44) AURKAAURKBPDE3BPDE3APDE4A
SCHEMBL9677178 0.67 PDE3B (0.75) AURKAAURKBPDE3BPDE3APDE4A

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
US-4835167-A Tricyclic benzotriazoles, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US claimed
EP-0257334-B1 TRICYCLIC BENZOTRIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1991-01-02 EP disclosed
US-4835167-A Tricyclic benzotriazoles, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1989-05-30 US disclosed
EP-0257334-A2 Tricyclic benzotriazoles, process for their preparation and medicaments Roche Diagnostics GmbH (DE) 1988-03-02 EP disclosed