SCHEMBL8329308

SCHEMBL8329308

Cc1[nH]c2ncc(F)cc2c1C(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.37
SNCA P37840 1/20 0.32
TRPA1 O75762 1/20 0.30

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
SCHEMBL8468860 0.71 TYMS (0.33) SNCA
SCHEMBL22761967 0.69 MAP4K1 (0.34) MAP4K1
SCHEMBL20573191 0.69 AGBL2 (0.40)
SCHEMBL8329311 0.69 CYP3A4 (0.41) MAP4K1SNCA
SCHEMBL2157057 0.67 NR4A2 (0.47)
SCHEMBL8330645 0.67 MAP4K1 (0.33) MAP4K1SNCA
SCHEMBL23101646 0.67 MAP4K1 (0.46) MAP4K1
SCHEMBL24565957 0.65 PDK2 (0.38)
SCHEMBL14070089 0.62 GRM4 (0.39)
SCHEMBL30806243 0.62 GRM4 (0.39)

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