SCHEMBL11262069

SCHEMBL11262069

Cc1cc(-c2ccc3[nH]c(S)nc3c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
ABL1 P00519 1/20 0.42
TLR8 Q9NR97 11/20 0.41
TLR7 Q9NYK1 11/20 0.41
TLR9 Q9NR96 7/20 0.41
MAP4K4 O95819 2/20 0.41
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPK1 P28482 1/20 0.39
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CCNC P24863 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
SCHEMBL11265691 0.86 TLR8 (0.39) DYRK1ATLR8TLR7TLR9
SCHEMBL11261025 0.82 ABL1 (0.44) DYRK1AABL1TLR8TLR7TLR9
SCHEMBL11260933 0.82 NPC1 (0.49) TLR8TLR7TLR9
SCHEMBL11262645 0.81 SREBF2 (0.41) ABL1TLR7TLR9MAP4K4CDC7
SCHEMBL11269149 0.81 PDE3B (0.49)
SCHEMBL11299685 0.79 DDAH1 (0.47) DYRK1AABL1TLR8TLR7TLR9
SCHEMBL11275736 0.78 ABL1 (0.45) DYRK1AABL1TLR8TLR7TLR9
SCHEMBL11272286 0.78 PRKCI (0.36) TLR8TLR7TLR9GSK3B
SCHEMBL10705931 0.76 DYRK3 (0.46) DYRK1AGSK3BCLK4
SCHEMBL21812326 0.75 CDK5 (0.42) DYRK1AABL1TLR8TLR7TLR9

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-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed