SCHEMBL1737102

SCHEMBL1737102

COc1ccc(Cn2c(C)c(C)c3ccnc(Cc4ccccc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE10A Q9Y233 2/20 0.44
FABP4 P15090 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TP53 P04637 2/20 0.43
DYRK1A Q13627 1/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 1/20 0.42
P2RX4 Q99571 1/20 0.41

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 SCHEMBL1736508 0.99 LTA4H (0.43) LTA4HPDE3BPDE3APDE10AFABP4
SCHEMBL1738753 0.91 FABP4 (0.51) FABP4PTGDR2TP53DYRK1AMAPT
SCHEMBL1739563 0.90 FABP4 (0.43) FABP4PTGDR2TP53DYRK1AMAPT
Hydrochloric Acid SCHEMBL1736955 0.89 FABP4 (0.50) FABP4PTGDR2TP53DYRK1AMAPT
Hydrochloric Acid SCHEMBL1737070 0.89 PTGDR2 (0.42) FABP4PTGDR2TP53DYRK1AMAPT
SCHEMBL1738562 0.88 MEN1 (0.47) FABP4PTGDR2TP53DYRK1AMAPT
SCHEMBL1737552 0.87 FABP4 (0.46) FABP4PTGDR2TP53DYRK1AMDM4
Hydrochloric Acid SCHEMBL1738015 0.87 MEN1 (0.46) FABP4PTGDR2TP53DYRK1AMAPT
Hydrochloric Acid SCHEMBL1736842 0.86 FABP4 (0.45) FABP4PTGDR2TP53DYRK1AMDM4
SCHEMBL1739552 0.86 FABP4 (0.45) FABP4TP53DYRK1AMAPTHTT

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