SCHEMBL1737700

SCHEMBL1737700

COc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(C)cc4)c32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
TP53 P04637 2/20 0.44
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2C9 P11712 7/20 0.43
USP2 O75604 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HPGD P15428 1/20 0.43
MIF P14174 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 6/20 0.41
CYP2C19 P33261 6/20 0.41
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 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 SCHEMBL1736940 0.99 ROCK2 (0.45) ROCK2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL1738897 0.95 USP2 (0.48) ROCK2TP53CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1738700 0.94 USP2 (0.47) ROCK2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL1737535 0.93 USP2 (0.48) ROCK2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL1738220 0.92 USP2 (0.50) ROCK2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL1738227 0.92 CYP3A4 (0.50) ROCK2TP53CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736592 0.92 USP2 (0.47) ROCK2TP53CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736823 0.91 CYP3A4 (0.49) ROCK2TP53CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1736845 0.91 USP2 (0.49) ROCK2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL1737334 0.90 ROCK2 (0.43) ROCK2TP53CYP1A2CYP3A4CYP2C9

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