SCHEMBL8328844

SCHEMBL8328844

Cc1nc2n(CC(=O)c3ccccc3O)cc(F)cc-2c1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.39
AMY1A P0DUB6 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
CASR P41180 9/20 0.37
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.32
IKBKB O14920 1/20 0.31

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 SCHEMBL8327518 0.86 MEN1 (0.38) MGAMAMY1AGAASIMGAM2
SCHEMBL8321774 0.84 MGAM (0.40) MGAMAMY1AGAASIMGAM2
SCHEMBL9380965 0.83 CTSD (0.36) GAACASRMEN1MAPTHPGD
Hydrochloric Acid SCHEMBL8328815 0.82 CTSD (0.35) GAACASRMEN1MAPTHPGD
SCHEMBL8327415 0.74 POLB (0.39) MGAMAMY1AGAASIMGAM2
Hydrochloric Acid SCHEMBL8329391 0.72 RXFP1 (0.40) GAANPC1MEN1MAPTHPGD
SCHEMBL8328742 0.70 MGAM (0.44) MGAMAMY1AGAASIMGAM2
Hydrochloric Acid SCHEMBL8328344 0.69 KMT2A (0.39) MGAMAMY1AGAASIMGAM2
Hydrochloric Acid SCHEMBL8328819 0.68 KMT2A (0.34) GAAMEN1MAPTKMT2ALMNA
SCHEMBL8329614 0.62 ALDH1A1 (0.36) GAAHTTKDM4ELMNATSHR

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