SCHEMBL8326499

SCHEMBL8326499

Cc1[nH]c2ncc(C#N)cc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CHEK1 O14757 4/20 0.36
PTGER4 P35408 1/20 0.35
LRRK2 Q5S007 4/20 0.33
HPGDS O60760 2/20 0.33
CHUK O15111 1/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL13940648 0.73 AHR (0.31) EGFRKDM4E
SCHEMBL1773124 0.73 EGFR (0.36) EGFRABL1
SCHEMBL1565081 0.73 CHEK1 (0.45) EGFRKDM4EALDH1A1LMNAHTT
SCHEMBL20846081 0.72 MET (0.41) LRRK2NTRK1MET
SCHEMBL20125054 0.70 BRD4 (0.44) EGFRKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL4598079 0.70 IDH1 (0.36) KDM4EALDH1A1L3MBTL1LMNAGAA
SCHEMBL14689824 0.70 GABRP (0.54) KDM4EALDH1A1CHEK1PTGER4CHUK
SCHEMBL25302317 0.69 PDK2 (0.30)
SCHEMBL8325679 0.69 EGFR (0.40) EGFRL3MBTL1LMNAHTTCHUK
SCHEMBL8802419 0.68 EGFR (0.37) EGFRABL1

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