SCHEMBL8328383

SCHEMBL8328383

COc1c2cccn(CC(=O)c3ccccc3)c-2nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
POLB P06746 3/20 0.39
HSD11B1 P28845 1/20 0.39
CTSD P07339 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
SI P14410 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 0.84 KMT2A (0.45) FLT4KDRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8329003 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL8329320 0.83 KMT2A (0.44) FLT4KDRKMT2AMEN1ALDH1A1
SCHEMBL9384064 0.82 KMT2A (0.44) FLT4KDRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8327510 0.81 POLB (0.46) KMT2AMEN1ALDH1A1KDM4ENPC1
Bromide SCHEMBL8327169 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ENPC1
SCHEMBL8468988 0.79 NPC1 (0.51) ALDH1A1KDM4ENPC1CTSDGAA
SCHEMBL8326884 0.78 KMT2A (0.42) FLT4KDRKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8328344 0.77 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL8327490 0.77 CDYL2 (0.53) KDM4ENPC1CDYL2CDYLCDY1; CDY1B

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