SCHEMBL1736374

SCHEMBL1736374

CCCn1c(C)c(C)c2ccnc(-c3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
NQO2 P16083 1/20 0.38
BCHE P06276 1/20 0.36
MCL1 Q07820 3/20 0.36
DYRK1A Q13627 1/20 0.36
PDE4B Q07343 1/20 0.36
RPS6KA5 O75582 1/20 0.36
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
TDO2 P48775 1/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35

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 SCHEMBL1735622 0.99 ADORA2B (0.38) ADORA2BADORA2AALDH1A1TSHRADORA3
SCHEMBL1738910 0.91 PDE4B (0.46) ADORA2ATSHRPDE4BMEN1MAPT
Hydrochloric Acid SCHEMBL1737832 0.90 PDE4B (0.46) ADORA2ATSHRPDE4BMEN1MAPT
SCHEMBL1739003 0.89 MCL1 (0.37) ADORA2BADORA2AALDH1A1BCHEMCL1
SCHEMBL1737577 0.89 RPS6KA5 (0.42) ADORA2BADORA2AALDH1A1ADORA3ADORA1
Hydrochloric Acid SCHEMBL1738165 0.88 MCL1 (0.36) ADORA2BADORA2AALDH1A1BCHEMCL1
Hydrochloric Acid SCHEMBL1737346 0.87 RPS6KA5 (0.41) ADORA2BADORA2AALDH1A1ADORA3ADORA1
SCHEMBL1737627 0.86 MAPK14 (0.42) ALDH1A1TSHRBCHEMCL1DYRK1A
SCHEMBL1737676 0.86 ALDH1A1 (0.39) ALDH1A1DYRK1ATDO2ESR1MEN1
Hydrochloric Acid SCHEMBL1736650 0.85 ALDH1A1 (0.38) ALDH1A1DYRK1ATDO2ESR1MEN1

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 5 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 disclosed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed