SCHEMBL8468988

SCHEMBL8468988

COc1ccc(C(=O)Cn2cccc3c(C)c(C)nc2-3)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.46
MGAM O43451 2/20 0.46
AMY1A P0DUB6 2/20 0.46
GAA P10253 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
PAX8 Q06710 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CTSD P07339 1/20 0.43
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL8327490 0.88 CDYL2 (0.53) NPC1RAB9AMAPTKDM4ETSHR
SCHEMBL8329803 0.87 PKM (0.45) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL8328067 0.86 RXFP1 (0.45) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL8329544 0.86 KMT2A (0.45) RAB9AMGAMAMY1AGAASI
SCHEMBL8328087 0.85 GSK3B (0.47) RAB9AMGAMAMY1AGAASI
Hydrochloric Acid SCHEMBL8329003 0.85 KMT2A (0.44) RAB9AMGAMAMY1AGAASI
SCHEMBL8322914 0.83 NPC1 (0.46) NPC1RAB9AMGAMAMY1AGAA
SCHEMBL8326356 0.82 POLB (0.41) RAB9AGAALMNAGSK3B
SCHEMBL8327469 0.80 HTT (0.42) NPC1RAB9AKDM4EALDH1A1CTSD
SCHEMBL8328383 0.79 FLT4 (0.43) NPC1RAB9AMGAMAMY1AGAA

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 3 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-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