SCHEMBL8329311

SCHEMBL8329311

Cc1[nH]c2ncc(F)cc2c1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
MAP4K1 Q92918 5/20 0.39
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SNCA P37840 1/20 0.34
HTR1F P30939 1/20 0.32
CSF1R P07333 1/20 0.31
NMT1 P30419 1/20 0.31
ATM Q13315 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
ADRB2 P07550 1/20 0.31
PTK2 Q05397 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20005144 0.85 SNCA (0.33) CYP3A4MAPTMAP4K1SNCA
SCHEMBL8323760 0.81 CYP3A4 (0.45) CYP3A4MAPTMAP4K1ALDH1A1KDM4E
SCHEMBL8330645 0.79 MAP4K1 (0.33) MAP4K1SNCA
SCHEMBL20004645 0.74 SNCA (0.56) MAPTSNCA
SCHEMBL30275071 0.72 CYP2D6 (0.43) CYP3A4MAPTMAP4K1ALDH1A1KDM4E
SCHEMBL8327650 0.71 CYP3A4 (0.56) CYP3A4MAPTALDH1A1KDM4EAURKA
SCHEMBL8468860 0.71 TYMS (0.33) SNCA
SCHEMBL20005142 0.70 SNCA (0.48) MAPTSNCA
SCHEMBL20573191 0.69 AGBL2 (0.40) KDM4EAGBL2
SCHEMBL8329308 0.69 MAP4K1 (0.37) MAP4K1SNCA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
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