SCHEMBL1735930

SCHEMBL1735930

COCn1c(C)c(C)c2ccnc(-c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK14 Q16539 2/20 0.41
NQO2 P16083 1/20 0.37
BCHE P06276 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
TDO2 P48775 1/20 0.35
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
MCL1 Q07820 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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 SCHEMBL1737726 0.99 KDM4E (0.41) KDM4EHSD17B10MAPK14NQO2BCHE
SCHEMBL1737613 0.87 IDO1 (0.36) KDM4EHSD17B10MAPK14NPC1RAB9A
SCHEMBL1738299 0.87 MAPK14 (0.44) MAPK14BCHERAB9AMCL1
SCHEMBL1739162 0.87 ALDH1A1 (0.44) HSD17B10NPC1TP53RAB9AMCL1
Hydrochloric Acid SCHEMBL1735642 0.86 ALDH1A1 (0.43) HSD17B10NPC1TP53RAB9AMCL1
Hydrochloric Acid SCHEMBL1735587 0.86 MAPK14 (0.43) MAPK14BCHERAB9AMCL1
Hydrochloric Acid SCHEMBL1737955 0.86 IDO1 (0.35) KDM4EHSD17B10MAPK14NPC1RAB9A
SCHEMBL1737577 0.85 RPS6KA5 (0.42) KDM4EHSD17B10NQO2BCHEHTR2B
Hydrochloric Acid SCHEMBL1737346 0.83 RPS6KA5 (0.41) KDM4EHSD17B10NQO2BCHEHTR2B
SCHEMBL1737061 0.82 ALDH1A1 (0.43) KDM4EHSD17B10NQO2BCHESMN1; SMN2

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