SCHEMBL8329320

SCHEMBL8329320

Cc1nc2n(CC(=O)c3ccccc3)cccc-2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.42
PLAA Q9Y263 1/20 0.41
MGAM O43451 2/20 0.40
AMY1A P0DUB6 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
ALPG P10696 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38

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 0.88 KMT2A (0.45) KMT2AMEN1POLBPLAAMGAM
Hydrochloric Acid SCHEMBL8329003 0.86 KMT2A (0.44) KMT2AMEN1POLBPLAAMGAM
SCHEMBL9384064 0.85 KMT2A (0.44) KMT2AMEN1POLBPLAAMGAM
Hydrochloric Acid SCHEMBL8327510 0.84 POLB (0.46) KMT2AMEN1POLBPLAAMGAM
Bromide SCHEMBL8327169 0.84 KMT2A (0.43) KMT2AMEN1POLBPLAAMGAM
SCHEMBL8328383 0.83 FLT4 (0.43) KMT2AMEN1POLBMGAMAMY1A
Hydrochloric Acid SCHEMBL8328344 0.80 KMT2A (0.39) KMT2AMEN1POLBMGAMAMY1A
SCHEMBL8326905 0.80 POLB (0.50) KMT2AMEN1POLBPLAAMGAM
SCHEMBL8328480 0.79 MEN1 (0.42) KMT2AMEN1POLBPLAAMGAM
Hydrochloric Acid SCHEMBL27370982 0.79 POLB (0.49) KMT2AMEN1POLBPLAAMGAM

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