SCHEMBL1737228

SCHEMBL1737228

Cc1c(C)n(CC2CC2)c2c(Cc3ccccc3)nccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.39
FABP4 P15090 1/20 0.36
P2RX3 P56373 2/20 0.35
ACHE P22303 1/20 0.34
SMO Q99835 5/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.34
REN P00797 1/20 0.34
CXCR4 P61073 1/20 0.33
OPRK1 P41145 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
ADORA3 P0DMS8 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 SCHEMBL1738042 0.99 MERTK (0.39) MERTKFABP4P2RX3ACHESMO
SCHEMBL1739153 0.89 OPRK1 (0.36) MERTKFABP4ACHEPDE5APDE4A
Hydrochloric Acid SCHEMBL1736935 0.88 KDM4E (0.37) MERTKFABP4ACHEPDE5APDE4A
SCHEMBL1738753 0.83 FABP4 (0.51) FABP4
SCHEMBL1739684 0.83 FABP4 (0.39) FABP4ADORA2A
Hydrochloric Acid SCHEMBL1736955 0.82 FABP4 (0.50) FABP4SMO
Hydrochloric Acid SCHEMBL1737485 0.82 FABP4 (0.39) FABP4ADORA2A
SCHEMBL3846872 0.80 KDM4E (0.42) MERTKACHEPDE4APDE4BPDE4C
SCHEMBL1737296 0.80 MERTK (0.38) MERTKAXLTYRO3
SCHEMBL1735598 0.79 BCL6 (0.36) CNR2

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