SCHEMBL8329209

SCHEMBL8329209

Cc1[nH]c2ncc(Cl)cc2c1CC#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
MAP2 P11137 1/20 0.33
GAA P10253 1/20 0.33
CSF1R P07333 1/20 0.33
IDH1 O75874 1/20 0.33
MAP4K1 Q92918 2/20 0.33
JAK2 O60674 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLKB1 P03952 1/20 0.32
EGFR P00533 2/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL8330645 0.82 MAP4K1 (0.33) CHEK1GAAMAP4K1
SCHEMBL8323760 0.79 CYP3A4 (0.45) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL29914968 0.74 RET (0.40) MAP2CSF1RJAK2MEN1HTT
SCHEMBL23167061 0.74 RET (0.40) MAP2CSF1RJAK2MEN1HTT
SCHEMBL8326898 0.73 CHEK1 (0.42) CHEK1MEN1KMT2AEGFRSRC
SCHEMBL17873360 0.70 CSNK2A1 (0.49) ADRA2ACSF1RMAP4K1JAK2KLKB1
SCHEMBL8328040 0.69 MAP2 (0.36) MAP2CSF1RJAK2MEN1HTT
SCHEMBL29915686 0.65 EGFR (0.63) HTR6GAAMEN1HTTKMT2A
SCHEMBL598062 0.65 PRKCI (0.36) GAAHTTEGFRSRC
SCHEMBL2039383 0.65 NR4A2 (0.50) MAP2GAAHTTKMT2A

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