SCHEMBL9832263

SCHEMBL9832263

CC1(C#N)C(=O)Nc2cc(N)c(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
ATAD2 Q6PL18 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
SCHEMBL4138321 0.76 ATAD2 (0.50) PGRPDK2PDK4ATAD2
SCHEMBL9833677 0.76 PGR (0.32) PGRALDH1A1MAPTATAD2
SCHEMBL28294093 0.73 PGR (0.34) PGRALDH1A1MAPTPDK2PDK4
SCHEMBL9833671 0.70 AURKA (0.40) ALDH1A1MAPT
SCHEMBL9833981 0.69 MAPK14 (0.33) PGRALDH1A1MAPTPDK2PDK4
SCHEMBL9832258 0.68 PGR (0.47) PGRALDH1A1
SCHEMBL19693406 0.67 LMNA (0.49) ALDH1A1MAPTPDK2
SCHEMBL28294129 0.65 MAOB (0.34)
SCHEMBL9379048 0.64 RARB (0.43) PGR
SCHEMBL9598945 0.64 PGR (0.50) PGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed