SCHEMBL8325679

SCHEMBL8325679

Cc1[nH]c2ncc(C(F)(F)F)cc2c1C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.37
KIF11 P52732 2/20 0.37
DHODH Q02127 2/20 0.36
KIT P10721 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAP4K1 Q92918 2/20 0.34
POLB P06746 1/20 0.34
CHUK O15111 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29153656 0.80 AGBL2 (0.46) AGBL2DHODHMEN1KMT2AL3MBTL1
SCHEMBL30720002 0.80 AGBL2 (0.46) AGBL2DHODHMEN1KMT2AL3MBTL1
SCHEMBL13199577 0.76 PDK2 (0.43)
SCHEMBL18858433 0.74 KIF11 (0.40) AGBL2KIF11KITCHUK
SCHEMBL29153676 0.73 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1POLB
SCHEMBL30104818 0.73 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1POLB
SCHEMBL13940648 0.73 AHR (0.31) EGFR
SCHEMBL1773124 0.73 EGFR (0.36) EGFRMAP4K1
SCHEMBL1565081 0.73 CHEK1 (0.45) EGFRMEN1KMT2ALMNAHTT
SCHEMBL16626017 0.72 MET (0.44) AGBL2

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