SCHEMBL1933769

SCHEMBL1933769

c1ccc(-c2nc3[nH]ccc3nc2C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPK1 P28482 1/20 0.42
LCK P06239 1/20 0.42
NPY5R Q15761 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
JAK2 O60674 6/20 0.39
JAK1 P23458 5/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
PDE10A Q9Y233 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL28079387 0.81 L3MBTL1 (0.58) TDP1L3MBTL1LCKNPY5RADORA3
SCHEMBL12146723 0.71 TDP1 (0.48) TDP1L3MBTL1LCKNPY5RADORA3
SCHEMBL12146715 0.71 TDP1 (0.48) TDP1L3MBTL1LCKNPY5RADORA3
SCHEMBL28079612 0.69 TDP1 (0.49) TDP1L3MBTL1MAPK1LCKNPY5R
SCHEMBL12146721 0.69 TDP1 (0.46) TDP1L3MBTL1LCKNPY5RADORA3
SCHEMBL1934242 0.69 JAK1 (0.59) MAPK1ADORA3ADORA2AADORA1JAK2
SCHEMBL14565645 0.69 HPGD (0.66) TDP1L3MBTL1POLBMAPT
SCHEMBL14565646 0.69 HPGD (0.66) TDP1L3MBTL1POLBMAPT
SCHEMBL28638010 0.68 PDE10A (0.46) TDP1L3MBTL1PDE10ARAF1
SCHEMBL19732549 0.67 TDP1 (0.46) TDP1L3MBTL1LCKNPY5RADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed