SCHEMBL8322872

SCHEMBL8322872

N#CCc1c2cccn(CC(=O)c3ccccc3)c-2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PLAA Q9Y263 1/20 0.34
HTT P42858 1/20 0.34
GRIN2B Q13224 1/20 0.34
CA12 O43570 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
SCHEMBL8329064 0.87 PLAA (0.40) POLBKMT2AMEN1MAPTLMNA
Bromide SCHEMBL8326355 0.86 PLAA (0.39) POLBKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL8328344 0.86 KMT2A (0.39) POLBKMT2AMEN1MAPTLMNA
SCHEMBL8326905 0.82 POLB (0.50) POLBKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL27370982 0.81 POLB (0.49) POLBKMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8329391 0.77 RXFP1 (0.40) POLBKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL8327510 0.76 POLB (0.46) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8327415 0.76 POLB (0.39) POLBKMT2AMEN1MAPTLMNA
SCHEMBL8329544 0.74 KMT2A (0.45) POLBKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL8329295 0.73 MEN1 (0.38) POLBKMT2AMEN1MAPTLMNA

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