SCHEMBL2929949

SCHEMBL2929949

Cc1ncc(S)c(-c2cc3cn[nH]c3nc2-c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.41
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NTRK3 Q16288 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
NTRK2 Q16620 1/20 0.36
ADORA1 P30542 2/20 0.35
PDE10A Q9Y233 1/20 0.35
FGFR1 P11362 1/20 0.35
DYRK3 O43781 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL2926808 0.81 NTRK1 (0.38) NTRK1MAPTL3MBTL1NPSR1NTRK3
SCHEMBL27324019 0.78 MAPT (0.54) NTRK1MAPTL3MBTL1NPSR1NTRK3
SCHEMBL10205892 0.70 NTRK1 (0.58) NTRK1MAPTL3MBTL1NPSR1NTRK3
SCHEMBL29894085 0.69 ADORA2A (0.67) AKT1ADORA1FGFR1GSK3BCLK4
SCHEMBL2926500 0.69 DYRK1A (0.47) AKT1AKT2ADORA1DYRK1AADORA2A
SCHEMBL1384932 0.68 ADORA2A (0.45) NTRK1L3MBTL1NPSR1AKT1AKT2
SCHEMBL2965992 0.66 NTRK1 (0.39) NTRK1ADORA1GSK3BADORA2A
SCHEMBL2611837 0.65 MAPT (0.57) NTRK1MAPTL3MBTL1NPSR1NTRK3
SCHEMBL28841969 0.62 NTRK1 (0.54) NTRK1MAPTL3MBTL1NPSR1NTRK3
SCHEMBL3181459 0.62 PDK2 (0.38) MAPTL3MBTL1HTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP claimed