SCHEMBL8326468

SCHEMBL8326468

Cc1nc2n(CC(=O)c3ccccc3)cc([S+](C)[O-])cc-2c1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MGAM O43451 2/20 0.38
AMY1A P0DUB6 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SRC P12931 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 0.81 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8325943 0.79 KMT2A (0.42) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329868 0.78 LMNA (0.46) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8330358 0.78 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL27372746 0.77 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329544 0.75 KMT2A (0.45) KMT2AMEN1MGAMAMY1AGAA
Hydrochloric Acid SCHEMBL8329003 0.74 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8327565 0.69 KMT2A (0.41) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329320 0.67 KMT2A (0.44) KMT2AMEN1MGAMAMY1AGAA
SCHEMBL8329803 0.67 PKM (0.45) 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