SCHEMBL9833677

SCHEMBL9833677

CC1Nc2cc3c(cc2N1)C(C)(C#N)C(=O)N3

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
ATAD2 Q6PL18 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
SCHEMBL9833030 0.81 KDM4E (0.41) PGRALDH1A1
SCHEMBL9834972 0.78 ATAD2 (0.50) PGRATAD2
SCHEMBL10375567 0.76 TNKS2 (0.45) PGRALDH1A1MAPT
SCHEMBL10566297 0.76
SCHEMBL9831260 0.75 KDM4E (0.42) ALDH1A1MAPT
SCHEMBL9836473 0.74 MAPK14 (0.33) ATAD2
SCHEMBL9835813 0.72 ATAD2 (0.31) PGRATAD2
SCHEMBL28294093 0.70 PGR (0.34) PGRALDH1A1MAPT
SCHEMBL9835008 0.69 KDM4E (0.34) ALDH1A1MAPT
SCHEMBL9832475 0.67 BRD4 (0.32)

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