SCHEMBL1738709

SCHEMBL1738709

C=Cc1ccc(-c2nccc3c(C)c(C)n(CCC)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.34
DYRK1A Q13627 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
MAPK11 Q15759 3/20 0.32
MAPK14 Q16539 3/20 0.32
ESR1 P03372 1/20 0.30

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 SCHEMBL1737803 0.99 CACNA1B (0.33) CACNA1BDYRK1ACA1CA2MAPK13
SCHEMBL1737960 0.90 CACNA1B (0.35) CACNA1BDYRK1A
Hydrochloric Acid SCHEMBL1736808 0.89 CACNA1B (0.34) CACNA1BDYRK1A
SCHEMBL1735909 0.87 MAPK14 (0.35) CACNA1BDYRK1AMAPK14
SCHEMBL1739063 0.87 CACNA1B (0.38) CACNA1B
SCHEMBL1737486 0.86 CACNA1B (0.34) CACNA1B
Hydrochloric Acid SCHEMBL1736819 0.86 CACNA1B (0.38) CACNA1B
Hydrochloric Acid SCHEMBL1736615 0.86 MAPK14 (0.35) CACNA1BDYRK1AMAPK14
SCHEMBL1739003 0.86 MCL1 (0.37) DYRK1AMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL1736147 0.85 CACNA1B (0.34) CACNA1B

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