SCHEMBL8325690

SCHEMBL8325690

Cc1nc2n(CCc3ccccc3)cccc-2c1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.47
ATP4B P51164 5/20 0.47
CASR P41180 4/20 0.42
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR1I2 O75469 1/20 0.39
ADORA2A P29274 1/20 0.38
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 2/20 0.33
FPR1 P21462 2/20 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
Bromide SCHEMBL8326570 0.77 CASR (0.41) ATP4AATP4BCASRKMT2AMEN1
SCHEMBL8321774 0.74 MGAM (0.40) ATP4AATP4BCASRKMT2AMEN1
SCHEMBL8328999 0.73 P2RX7 (0.43) ATP4AATP4BCASRKMT2ACYP2C9
Hydrochloric Acid SCHEMBL8329391 0.72 RXFP1 (0.40) KMT2ACYP2C9MEN1CYP3A4CYP2D6
SCHEMBL9383805 0.71 CASR (0.41) CASRKMT2AMEN1ADORA2AHTT
Bromide SCHEMBL8322724 0.70 CASR (0.40) CASRKMT2AMEN1ADORA2AHTT
SCHEMBL9386058 0.70 HTT (0.42) CASRKMT2AMEN1ADORA2AHTT
Bromide SCHEMBL8328425 0.69 HTT (0.41) CASRKMT2AMEN1ADORA2AHTT
SCHEMBL8324929 0.69 KMT2A (0.41) KMT2AMEN1KDM4EGAA
SCHEMBL8326830 0.67 CASR (0.44) CASRKMT2AMEN1MAPK1HTT

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