SCHEMBL1739128

SCHEMBL1739128

Cc1ccc(-c2nccc3c(C)c(C)n(CC4CCC4)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNK2 Q07912 1/20 0.35
KDM1A O60341 4/20 0.35
MCL1 Q07820 1/20 0.34
JAK2 O60674 2/20 0.33
GRM2 Q14416 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE1C Q14123 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
ABCC1 P33527 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
Hydrochloric Acid SCHEMBL1736149 0.99 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14TNK2
SCHEMBL1737522 0.95 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14TNK2
Hydrochloric Acid SCHEMBL1737777 0.94 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14TNK2
SCHEMBL1737275 0.91 ALOX5 (0.37) MAPK13MAPK12MAPK11MAPK14TNK2
SCHEMBL1737487 0.90 PLA2G2A (0.37) JAK2NPSR1ABCC1PLA2G2A
Hydrochloric Acid SCHEMBL1736645 0.90 ALOX5 (0.36) MAPK13MAPK12MAPK11MAPK14TNK2
Hydrochloric Acid SCHEMBL1736293 0.89 PLA2G2A (0.37) JAK2NPSR1ABCC1PLA2G2A
SCHEMBL1736687 0.89 NPC1 (0.41) TNK2GRM2GRIN1GRIN2BPLA2G2A
Hydrochloric Acid SCHEMBL1736883 0.88 NPC1 (0.41) TNK2GRM2GRIN1GRIN2BPLA2G2A
SCHEMBL1738928 0.87 NPSR1 (0.41) NPSR1ABCC1PLA2G2A

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