SCHEMBL22477572

SCHEMBL22477572

Nc1cccc(-c2nn(C(=S)Nc3ccccc3)cc2-c2ccnc3ccccc23)n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.79
MAPK14 Q16539 5/20 0.57

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
SCHEMBL29350731 0.89 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL142081 0.89 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL29772701 0.87 TGFBR1 (0.77) TGFBR1MAPK14
SCHEMBL21234477 0.87 TGFBR1 (0.80) TGFBR1MAPK14
SCHEMBL21239068 0.77 TGFBR1 (0.50) TGFBR1MAPK14
SCHEMBL23091679 0.76 TGFBR1 (0.64) TGFBR1MAPK14
SCHEMBL31256652 0.71 TGFBR1 (0.70) TGFBR1MAPK14
SCHEMBL28863738 0.70 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL30812495 0.69 TGFBR1 (0.68) TGFBR1MAPK14
SCHEMBL30569681 0.67 TGFBR1 (0.61) TGFBR1MAPK14

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
WO-2020196867-A1 ACELLULAR ROOT CANAL FILLER AND ACELLULAR DENTAL TISSUE REGENERATION PROMOTING KIT 国立研究開発法人国立長寿医療研究センター 2020-10-01 WO disclosed