SCHEMBL8324161

SCHEMBL8324161

COc1ccccc1C(=O)Cn1cccc2c(CC#N)c(C)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VDR P11473 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 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
SCHEMBL8321774 0.86 MGAM (0.40) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL8327469 0.85 HTT (0.42) RAB9ANPC1L3MBTL1IDO1TDO2
Bromide SCHEMBL8329364 0.84 KDM4E (0.37) TP53MAPTRAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL8328344 0.81 KMT2A (0.39) TP53MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL8324929 0.80 KMT2A (0.41) MAPTRAB9AL3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8329391 0.80 RXFP1 (0.40) MAPTRAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL8325690 0.72 ATP4A (0.47) KMT2AHTTMAPK1
SCHEMBL8328844 0.71 MGAM (0.39) MAPTNPC1LMNAKMT2AHTT
SCHEMBL8329064 0.71 PLAA (0.40) TP53MAPTRAB9AL3MBTL1ALDH1A1
Bromide SCHEMBL8326355 0.70 PLAA (0.39) TP53MAPTRAB9ANPC1L3MBTL1

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