SCHEMBL8328576

SCHEMBL8328576

Cc1c(CO)[nH]c2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
PARP1 P09874 1/20 0.42
FEN1 P39748 1/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
RIPK1 Q13546 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
PDK2 Q15119 1/20 0.36
MAP2K1 Q02750 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
SCHEMBL9386690 0.94 KDM4E (0.40) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL8326415 0.87 RIPK1 (0.40) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL8329539 0.80 PKM (0.43) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL855363 0.76 KDM4E (0.50) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL30324482 0.76 KDM4E (0.50) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL8324581 0.73 AURKA (0.46) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL28329874 0.73 AXL (0.47) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL21115235 0.73 AURKA (0.46) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL8326413 0.72 AURKA (0.42) AURKAPARP1FEN1NPC1L3MBTL1
SCHEMBL7976276 0.72 KDM4E (0.46) AURKAPARP1FEN1NPC1L3MBTL1

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