SCHEMBL11299685

SCHEMBL11299685

CCc1nc2cc(-c3ccnc(C)c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.47
ABL1 P00519 1/20 0.46
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
MAP4K4 O95819 1/20 0.43
DYRK1A Q13627 2/20 0.42
TLR8 Q9NR97 8/20 0.40
TLR7 Q9NYK1 8/20 0.40
TLR9 Q9NR96 5/20 0.40
AAK1 Q2M2I8 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CLK1 P49759 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
SCHEMBL11218846 0.84 AAK1 (0.53) DDAH1ABL1GAAHTTTLR8
SCHEMBL8592534 0.82 DDAH1 (0.53) DDAH1GAAHTT
SCHEMBL11275736 0.82 ABL1 (0.45) ABL1MAP4K4DYRK1ATLR8TLR7
SCHEMBL13963923 0.80 DDAH1 (0.59) DDAH1GAAHTTAAK1
SCHEMBL11261025 0.79 ABL1 (0.44) ABL1MAP4K4DYRK1ATLR8TLR7
SCHEMBL11262069 0.79 DYRK1A (0.44) ABL1MAP4K4DYRK1ATLR8TLR7
SCHEMBL12350634 0.79 DDAH1 (0.62) DDAH1GAAHTTDYRK1ACLK1
SCHEMBL11270703 0.78 CYP1A2 (0.47) ABL1HTTDYRK1A
SCHEMBL10038839 0.75 DDAH1 (0.59) DDAH1GAAHTT
SCHEMBL11309998 0.74 POLB (0.41) AAK1

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-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed