SCHEMBL8324929

SCHEMBL8324929

Cc1nc2n(CC(=O)c3ccc(F)cc3F)cccc-2c1CC#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNH2 Q12809 4/20 0.40
CTSD P07339 1/20 0.39
GUSB P08236 1/20 0.39
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSB P07858 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8329391 0.85 RXFP1 (0.40) KMT2AMEN1CTSDGUSBHTR2C
SCHEMBL8324947 0.85 CTSD (0.43) KMT2AMEN1KCNH2CTSDGUSB
SCHEMBL9380965 0.82 CTSD (0.36) KMT2AMEN1KCNH2CTSDGUSB
Hydrochloric Acid SCHEMBL8328815 0.81 CTSD (0.35) KMT2AMEN1KCNH2CTSDGUSB
SCHEMBL8321774 0.81 MGAM (0.40) KMT2AMEN1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL8328344 0.78 KMT2A (0.39) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL8328844 0.75 MGAM (0.39) KMT2AMEN1KDM4ELMNAGAA
Bromide SCHEMBL8329364 0.74 KDM4E (0.37) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL9380971 0.72 KMT2A (0.34) KMT2AMEN1KCNH2CTSDGUSB
Bromide SCHEMBL8327518 0.72 MEN1 (0.38) KMT2AMEN1LMNAALDH1A1GAA

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