SCHEMBL8328201

SCHEMBL8328201

NC(=O)Cc1c2cccn(CC(=O)c3ccccc3)c-2nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAA Q9Y263 1/20 0.39
ALPG P10696 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
F10 P00742 2/20 0.36
GRIN2B Q13224 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 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
Bromide SCHEMBL8327071 0.99 PLAA (0.38) PLAAALPGHPGDPOLBKDM4E
SCHEMBL8328480 0.85 MEN1 (0.42) PLAAALPGHPGDPOLBKDM4E
SCHEMBL8329064 0.85 PLAA (0.40) PLAAALPGHPGDPOLBKDM4E
Bromide SCHEMBL8326355 0.84 PLAA (0.39) PLAAALPGHPGDPOLBKDM4E
SCHEMBL8326687 0.80 SRC (0.46) HPGDKDM4ESMN1; SMN2GRIN2BMEN1
SCHEMBL8327249 0.78 GSK3B (0.42) GRIN2BMEN1KMT2ALMNAMAPT
SCHEMBL8322914 0.76 NPC1 (0.46) KDM4EL3MBTL1KDRALDH1A1MAPT
SCHEMBL8327343 0.76 ALDH1A1 (0.46) HPGDKDM4ESMN1; SMN2TP53EGFR
SCHEMBL8329544 0.74 KMT2A (0.45) PLAAALPGPOLBKDM4ESMN1; SMN2
SCHEMBL8330293 0.73 PDCD1 (0.46) PLAAPOLBKDM4ESMN1; SMN2L3MBTL1

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