SCHEMBL8327249

SCHEMBL8327249

Cc1c2cccn(CC(=O)c3ccccc3)c-2nc1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 2/20 0.39
KMT2A Q03164 3/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CXCR3 P49682 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.38
GRIN2B Q13224 1/20 0.38
AKR1B10 O60218 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL8328480 0.92 MEN1 (0.42) KMT2AMGAMAMY1AGAASI
SCHEMBL8326687 0.91 SRC (0.46) LMNARAB9AKMT2AMGAMAMY1A
SCHEMBL8322914 0.87 NPC1 (0.46) RXFP1RAB9AMGAMAMY1AGAA
SCHEMBL8327343 0.86 ALDH1A1 (0.46) LMNARAB9AMAPT
SCHEMBL8330293 0.83 PDCD1 (0.46) LMNARAB9AKMT2AMAPTHTT
SCHEMBL8328087 0.82 GSK3B (0.47) GSK3BLMNARAB9AKMT2AMGAM
SCHEMBL8327565 0.81 KMT2A (0.41) KMT2AMGAMAMY1AGAASI
SCHEMBL8329544 0.80 KMT2A (0.45) LMNARAB9AKMT2AMGAMAMY1A
Hydrochloric Acid SCHEMBL8329003 0.79 KMT2A (0.44) LMNARAB9AKMT2AMGAMAMY1A
SCHEMBL8326905 0.78 POLB (0.50) LMNARAB9AKMT2AMGAMAMY1A

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 3 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-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