SCHEMBL8330645

SCHEMBL8330645

Cc1[nH]c2ncc(F)cc2c1CC#N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.33
CHEK1 O14757 1/20 0.32
GAA P10253 1/20 0.31
SNCA P37840 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
SCHEMBL8329209 0.82 CHEK1 (0.34) MAP4K1CHEK1GAA
SCHEMBL8329311 0.79 CYP3A4 (0.41) MAP4K1SNCA
SCHEMBL8326898 0.73 CHEK1 (0.42) CHEK1
SCHEMBL30275113 0.70 CSNK2A1 (0.43)
SCHEMBL8468860 0.69 TYMS (0.33) SNCA
SCHEMBL20005144 0.68 SNCA (0.33) MAP4K1SNCA
SCHEMBL14441620 0.67 HSD11B1 (0.36) GAA
SCHEMBL20573191 0.67 AGBL2 (0.40)
SCHEMBL8329308 0.67 MAP4K1 (0.37) MAP4K1SNCA
SCHEMBL14223826 0.67 DAO (0.41) GAA

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