SCHEMBL1739113

SCHEMBL1739113

COc1ccc(-c2nccc3c(C)c(C)n(CC(C)C)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CACNA1B Q00975 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
TEK Q02763 1/20 0.39
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
DYRK1A Q13627 3/20 0.38
HTT P42858 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TNK2 Q07912 1/20 0.36

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 SCHEMBL1738699 0.99 MEN1 (0.44) MEN1KMT2ACACNA1BPDE3BPDE3A
SCHEMBL1736958 0.89 DYRK1A (0.39) MEN1KMT2ACACNA1BPDE3BPDE3A
Hydrochloric Acid SCHEMBL1738440 0.88 DYRK1A (0.39) MEN1KMT2ACACNA1BPDE3BPDE3A
SCHEMBL1738462 0.87 DYRK1A (0.47) PDE3BPDE3AALDH1A1KDM4EHPGD
SCHEMBL1739305 0.87 CACNA1B (0.39) MEN1KMT2ACACNA1BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1735573 0.86 DYRK1A (0.46) PDE3BPDE3AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1737034 0.86 CACNA1B (0.38) MEN1KMT2ACACNA1BALDH1A1KDM4E
SCHEMBL1738000 0.85 DYRK1A (0.49) MEN1KMT2APDE3BPDE3AALDH1A1
SCHEMBL1739797 0.85 ALDH1A1 (0.46) MEN1KMT2APDE3BPDE3AALDH1A1
SCHEMBL1737407 0.85 KDM4E (0.44) CACNA1BPDE3BPDE3AALDH1A1KDM4E

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed