SCHEMBL8325943

SCHEMBL8325943

CSc1cc2c(C)c(C)nc-2n(CC(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MGAM O43451 2/20 0.39
AMY1A P0DUB6 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SRC P12931 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
HSD17B10 Q99714 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
SCHEMBL8331450 0.83 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8330358 0.80 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329868 0.80 LMNA (0.46) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL27372746 0.79 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8326468 0.79 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329544 0.77 KMT2A (0.45) KMT2AMEN1MGAMAMY1AGAA
Hydrochloric Acid SCHEMBL8329003 0.76 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8327084 0.73 MAPT (0.41) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL8327565 0.71 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329320 0.69 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA

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