SCHEMBL8327084

SCHEMBL8327084

CSc1ccc2c(C)c(C)nc-2n1CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.40
CTSD P07339 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL8329544 0.76 KMT2A (0.45) MAPTHTTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8329003 0.75 KMT2A (0.44) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8325943 0.73 KMT2A (0.42) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8329803 0.68 PKM (0.45) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL8331450 0.68 KMT2A (0.44) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8328067 0.67 RXFP1 (0.45) MAPTHTTLMNACTSDKMT2A
SCHEMBL8328087 0.66 GSK3B (0.47) MAPTLMNAKMT2AMEN1CYP2D6
SCHEMBL8329868 0.65 LMNA (0.46) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8330358 0.65 KMT2A (0.41) MAPTHTTLMNAKMT2AMEN1
SCHEMBL8329320 0.65 KMT2A (0.44) MAPTHTTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed