SCHEMBL8326356

SCHEMBL8326356

Cc1nc2n(CC(=O)c3ccc(C#N)cc3)cccc-2c1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GSK3B P49841 1/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.86 PKM (0.45) GSK3BGAAMEN1KMT2ALMNA
SCHEMBL8328067 0.85 RXFP1 (0.45) POLBCA12CA1CA9KMT2A
SCHEMBL8329544 0.85 KMT2A (0.45) POLBGAAMEN1KMT2ALMNA
SCHEMBL8328087 0.84 GSK3B (0.47) GSK3BGAAMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL8329003 0.84 KMT2A (0.44) POLBGAAMEN1KMT2ALMNA
SCHEMBL8468988 0.82 NPC1 (0.51) GSK3BGAALMNARAB9A
SCHEMBL8329868 0.78 LMNA (0.46) POLBGAAHSD11B1MEN1KMT2A
SCHEMBL8327490 0.78 CDYL2 (0.53) POLBCA12CA1CA9HSD11B1
SCHEMBL8329254 0.76 CYP11B1 (0.35) GAA
SCHEMBL15030556 0.76 KDM4E (0.49) POLBCA12CA1CA2CA9

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