SCHEMBL3826602

SCHEMBL3826602

Sc1cc2cc[nH]c2cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
AHR P35869 5/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 2/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 4/20 0.39
CSNK2A1 P68400 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
NPC1 O15118 1/20 0.37
GRM4 Q14833 1/20 0.37

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 SCHEMBL3825199 0.98 HDAC6 (0.42) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL24344097 0.83 GPR84 (0.42) GPR84AHRNR4A2CYP2A6F7
SCHEMBL8296659 0.75 CYP2A6 (0.47) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL30354467 0.75 USP2 (0.50) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL30758727 0.75 CYP2A6 (0.47) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL587359 0.75 AHR (0.50) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL14041127 0.75 GPR84 (0.52) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL8664673 0.75 PDPK1 (0.47) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL21090062 0.75 HDAC6 (0.43) HDAC6MAPTGPR84AHRNR4A2
SCHEMBL29975686 0.75 AHR (0.50) HDAC6MAPTGPR84AHRNR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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