SCHEMBL8329254

SCHEMBL8329254

Cc1nc2n(CC(O)c3ccc(C#N)cc3)cccc-2c1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP19A1 P11511 3/20 0.34
AGER Q15109 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
F2R P25116 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F11 P03951 1/20 0.33
PKM P14618 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8329568 0.73 KDM4E (0.39) GRIN1GRIN2BKDM4EPKMTSHR
SCHEMBL8326439 0.73 ALDH1A1 (0.42) KDM4EGAAPKMTSHRHTT
SCHEMBL8327462 0.68 TSHR (0.39) KDM4EGAAPKMTSHRHTT
SCHEMBL11279766 0.64 CYP19A1 (0.67) CYP11B1CYP11B2CYP19A1
SCHEMBL18245963 0.63 LMNA (0.54) CYP19A1F2RKDM4EGAAMAPT
SCHEMBL2249403 0.63 LMNA (0.54) CYP19A1F2RKDM4EGAAMAPT
SCHEMBL3409357 0.63 TAAR1 (0.57) CYP11B1CYP11B2CYP19A1F2RKDM4E
SCHEMBL11185511 0.62 CYP19A1 (0.59) CYP11B1CYP11B2CYP19A1TSHR
SCHEMBL28239877 0.61 CA12 (0.44) CYP19A1GRIN1GRIN2BF2RKDM4E
SCHEMBL11980418 0.61 CA12 (0.44) CYP19A1GRIN1GRIN2BF2RKDM4E

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