SCHEMBL3850776

SCHEMBL3850776

Cc1c(C)n(Cc2ccccc2)c2c(NCc3ccc(F)cc3)n[c]cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43
FLT3 P36888 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
APP P05067 1/20 0.39
FABP4 P15090 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARG P37231 1/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 1/20 0.38
NPSR1 Q6W5P4 2/20 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 SCHEMBL1737812 0.82 TP53 (0.47) TP53MAPTHTTABL1FYN
Hydrochloric Acid SCHEMBL1736788 0.82 TP53 (0.47) TP53MAPTHTTABL1FYN
Hydrochloric Acid SCHEMBL1737355 0.80 TP53 (0.46) TP53MAPTHTTABL1FYN
SCHEMBL1735959 0.78 CTSL (0.46) TP53MAPTHTTABL1FYN
SCHEMBL1738141 0.78 MAPT (0.47) TP53MAPTHTTABL1FYN
SCHEMBL2768269 0.77 MAPT (0.45) TP53MAPTHTTABL1FYN
Hydrochloric Acid SCHEMBL1736991 0.77 MAPT (0.46) TP53MAPTHTTABL1FYN
Hydrochloric Acid SCHEMBL1738124 0.77 CTSL (0.45) TP53MAPTHTTABL1FYN
Hydrochloric Acid SCHEMBL1736652 0.77 TP53 (0.41) TP53MAPTHTTABL1FYN
SCHEMBL1735914 0.76 MAPT (0.46) TP53MAPTHTTABL1FYN

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 4 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 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