SCHEMBL1737535

SCHEMBL1737535

COc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccccc4)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP3A4 P08684 6/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2D6 P10635 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP1 P29466 4/20 0.46
CASP7 P55210 4/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 3/20 0.45
HIF1A Q16665 3/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 2/20 0.44
ROCK2 O75116 4/20 0.44

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 SCHEMBL1736592 0.99 USP2 (0.47) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1738897 0.94 USP2 (0.48) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1738700 0.93 USP2 (0.47) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1737700 0.93 ROCK2 (0.45) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1736940 0.92 ROCK2 (0.45) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1738227 0.91 CYP3A4 (0.50) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1738220 0.91 USP2 (0.50) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1736845 0.90 USP2 (0.49) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1736823 0.90 CYP3A4 (0.49) USP2ALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1737334 0.89 ROCK2 (0.43) USP2ALDH1A1CYP3A4CYP1A2CYP2C9

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