SCHEMBL8323760

SCHEMBL8323760

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
MAP4K1 Q92918 2/20 0.39
PDE10A Q9Y233 1/20 0.39
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 2/20 0.35
AURKB Q96GD4 2/20 0.35
INCENP Q9NQS7 2/20 0.35

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
SCHEMBL8329311 0.81 CYP3A4 (0.41) CYP3A4MAPTMAP4K1HSD17B10KDM4E
SCHEMBL8329209 0.79 CHEK1 (0.34) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL23167061 0.76 RET (0.40) HSD17B10MAP2CSF1RJAK2MEN1
SCHEMBL29914968 0.76 RET (0.40) HSD17B10MAP2CSF1RJAK2MEN1
SCHEMBL17829970 0.74 HTR6 (0.75) CYP3A4MAPTADRA2AADRA2BADRA2C
SCHEMBL1267965 0.72 JAK2 (0.47) CYP3A4ADRA2AHTR6MAP4K1HSD17B10
SCHEMBL8327650 0.71 CYP3A4 (0.56) CYP3A4MAPTHTR6KDM4EALDH1A1
SCHEMBL8328040 0.71 MAP2 (0.36) HSD17B10HPGDMAP2CSF1RJAK2
SCHEMBL1721110 0.68 ADRA2A (0.50) CYP3A4MAPTADRA2AADRA2BADRA2C
SCHEMBL2039383 0.67 NR4A2 (0.50) MAPTALDH1A1MAP2KMT2AHTT

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
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
CN-1067892-A The preparation method of new pyrrolo-[2,3-b] pyridine derivate ASTRA AB (SE) 1993-01-13 CN 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