SCHEMBL8328087

SCHEMBL8328087

Cc1nc2n(CC(=O)c3ccc(Br)cc3)cccc-2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CXCR3 P49682 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALPL P05186 2/20 0.38
PLAA Q9Y263 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 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
SCHEMBL8329803 0.90 PKM (0.45) GSK3BRAB9AGAAMGAMAMY1A
SCHEMBL8328067 0.88 RXFP1 (0.45) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL8329544 0.88 KMT2A (0.45) RAB9AGAAMGAMAMY1ASI
Hydrochloric Acid SCHEMBL8329003 0.87 KMT2A (0.44) RAB9AGAAMGAMAMY1ASI
SCHEMBL8468988 0.85 NPC1 (0.51) GSK3BRAB9AGAAMGAMAMY1A
SCHEMBL8326356 0.84 POLB (0.41) GSK3BRAB9AGAALMNAMEN1
SCHEMBL8327249 0.82 GSK3B (0.42) GSK3BRAB9AGAAMGAMAMY1A
SCHEMBL9384064 0.81 KMT2A (0.44) GSK3BRAB9AGAAMGAMAMY1A
Bromide SCHEMBL8327169 0.80 KMT2A (0.43) GSK3BRAB9AGAAMGAMAMY1A
SCHEMBL8327490 0.78 CDYL2 (0.53) RAB9AMAPTLMNASMN1; SMN2MAPK1

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