SCHEMBL8328385

SCHEMBL8328385

COc1cccc(C(=O)Cn2cccc3ccnc2-3)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAA Q9Y263 1/20 0.41
ALPG P10696 1/20 0.41
RAB9A P51151 2/20 0.39
ESR1 P03372 1/20 0.37
KMT2A Q03164 2/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL8326886 0.80 PLAA (0.40) PLAAALPGESR1KMT2ANPC1
SCHEMBL8331452 0.74 PLAA (0.44) PLAAALPGRAB9AESR1HTT
SCHEMBL8329872 0.72 PLAA (0.42) PLAAALPGESR1CA12CA1
SCHEMBL8327469 0.71 HTT (0.42) RAB9AKMT2AHTTNPC1ALDH1A1
SCHEMBL13089201 0.69 HMGCR (0.50) NPC1CA12CA1CA2CA7
SCHEMBL5054752 0.68 HPGDS (0.55) NPC1CA12CA1CA2CA7
SCHEMBL30048914 0.65 RAB9A (0.60) RAB9AKMT2ANPC1MEN1TP53
SCHEMBL10872757 0.65 L3MBTL1 (0.50) RAB9AKMT2AHTTNPC1TP53
SCHEMBL311839 0.64 HTT (0.59) ESR1KMT2AHTTCA12CA1
SCHEMBL29959614 0.64 HTT (0.59) ESR1KMT2AHTTCA12CA1

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