SCHEMBL11272286

SCHEMBL11272286

Cc1nccc(-c2ccc3[nH]c(S)nc3c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.36
GRM4 Q14833 1/20 0.35
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
ACVR1 Q04771 1/20 0.33
BRD4 O60885 12/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL11302095 0.86 PRKCI (0.49) PRKCIGRM4TLR9TLR8TLR7
SCHEMBL11272019 0.83 PRKCI (0.36) PRKCIGRM4TLR9TLR8TLR7
SCHEMBL11263840 0.80 KDM4C (0.38) PRKCIGRM4TLR9TLR8TLR7
SCHEMBL11262069 0.78 DYRK1A (0.44) TLR9TLR8TLR7GSK3B
SCHEMBL11265691 0.73 TLR8 (0.39) TLR9TLR8TLR7
SCHEMBL11260933 0.72 NPC1 (0.49) TLR9TLR8TLR7
SCHEMBL11262645 0.72 SREBF2 (0.41) TLR9TLR7PDE3BPDE3ACDK5
SCHEMBL11269149 0.71 PDE3B (0.49) PDE3BPDE3A
SCHEMBL229607 0.70 KMT2A (0.44) PDE3BPDE3A
SCHEMBL10705931 0.69 DYRK3 (0.46) GSK3BCDK5CDK5R1

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