SCHEMBL8326884

SCHEMBL8326884

COCc1nc2n(CC(=O)c3ccccc3)cccc-2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MGAM O43451 2/20 0.37
AMY1A P0DUB6 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
NPC1 O15118 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD11B1 P28845 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL27391593 0.99 KMT2A (0.41) KMT2AMEN1FLT4KDRPOLB
SCHEMBL8329544 0.82 KMT2A (0.45) KMT2AMEN1FLT4KDRPOLB
Hydrochloric Acid SCHEMBL8329003 0.81 KMT2A (0.44) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL8326905 0.80 POLB (0.50) KMT2AMEN1POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27370982 0.79 POLB (0.49) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL8328480 0.79 MEN1 (0.42) KMT2AMEN1KDRPOLBKDM4E
SCHEMBL8328383 0.78 FLT4 (0.43) KMT2AMEN1FLT4KDRPOLB
SCHEMBL8322914 0.77 NPC1 (0.46) KDRKDM4EALDH1A1MGAMAMY1A
SCHEMBL8327343 0.77 ALDH1A1 (0.46) KDM4EALDH1A1NPC1SMN1; SMN2HSD11B1
SCHEMBL8326687 0.76 SRC (0.46) KMT2AMEN1KDRKDM4EALDH1A1

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