SCHEMBL8327490

SCHEMBL8327490

COc1cccc(C(=O)Cn2cccc3c(C)c(C)nc2-3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 3/20 0.53
CDYL Q9Y232 3/20 0.53
CDY1; CDY1B Q9Y6F8 3/20 0.53
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL8468988 0.88 NPC1 (0.51) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL8329544 0.84 KMT2A (0.45) LMNAHTTL3MBTL1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL8329003 0.83 KMT2A (0.44) LMNAHTTL3MBTL1SMN1; SMN2RAB9A
SCHEMBL8329803 0.80 PKM (0.45) MAPK1LMNATDP1L3MBTL1SMN1; SMN2
SCHEMBL8328067 0.79 RXFP1 (0.45) CA12CA9CA1LMNAHTT
SCHEMBL8328087 0.78 GSK3B (0.47) MAPK1LMNASMN1; SMN2RAB9AMAPT
SCHEMBL15030495 0.78 CDYL2 (0.54) CDYL2CDYLCDY1; CDY1BCA12CA9
SCHEMBL8327469 0.78 HTT (0.42) MAPK1HTTTDP1L3MBTL1NPC1
SCHEMBL8326356 0.78 POLB (0.41) CA12CA9CA1LMNARAB9A
SCHEMBL8322914 0.76 NPC1 (0.46) CDYL2CDYLCDY1; CDY1BMAPK1L3MBTL1

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