SCHEMBL8324947

SCHEMBL8324947

Cc1nc2n(CC(=O)c3ccc(F)cc3F)cccc-2c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
GUSB P08236 1/20 0.43
KCNH2 Q12809 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CASR P41180 1/20 0.37

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
SCHEMBL8324929 0.85 KMT2A (0.41) CTSDGUSBKCNH2HTR2AHTR2C
SCHEMBL8328067 0.84 RXFP1 (0.45) CTSDGUSBHTR2AHTR2CKMT2A
SCHEMBL8328742 0.78 MGAM (0.44) MEN1KMT2AALDH1A1CASR
SCHEMBL8327469 0.78 HTT (0.42) CTSDKMT2AALDH1A1
SCHEMBL8329544 0.76 KMT2A (0.45) MEN1KMT2AALDH1A1LMNACASR
Bromide SCHEMBL8330896 0.76 MAPT (0.40) LMNA
Hydrochloric Acid SCHEMBL8329003 0.75 KMT2A (0.44) MEN1KMT2AALDH1A1LMNACASR
SCHEMBL8329803 0.75 PKM (0.45) MEN1KMT2AALDH1A1LMNA
SCHEMBL8328087 0.73 GSK3B (0.47) MEN1KMT2AALDH1A1LMNA
SCHEMBL8327490 0.72 CDYL2 (0.53) LMNACES2CES1

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