SCHEMBL8329803

SCHEMBL8329803

Cc1ccc(C(=O)Cn2cccc3c(C)c(C)nc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
MGAM O43451 1/20 0.44
AMY1A P0DUB6 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8328067 0.91 RXFP1 (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8329544 0.90 KMT2A (0.45) RAB9ASMN1; SMN2MAPTMGAMAMY1A
SCHEMBL8328087 0.90 GSK3B (0.47) RAB9ASMN1; SMN2MAPTMGAMAMY1A
Hydrochloric Acid SCHEMBL8329003 0.89 KMT2A (0.44) RAB9ASMN1; SMN2MAPTMGAMAMY1A
SCHEMBL8468988 0.87 NPC1 (0.51) NPC1RAB9AMAPTMGAMAMY1A
SCHEMBL8326356 0.86 POLB (0.41) RAB9AGAAKMT2AMEN1LMNA
SCHEMBL8326687 0.81 SRC (0.46) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8327490 0.80 CDYL2 (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL8328742 0.79 MGAM (0.44) NPC1RAB9ASMN1; SMN2MAPTMGAM
SCHEMBL8327469 0.79 HTT (0.42) NPC1RAB9AALDH1A1KMT2AKDM4E

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