SCHEMBL5216962

SCHEMBL5216962

CCc1nc(C=O)c(Br)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
DDAH1 O94760 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALK Q9UM73 1/20 0.33

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
SCHEMBL9123535 0.82 PARP1 (0.42)
SCHEMBL2033187 0.78 ALK (0.46) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL4354597 0.78 ADORA1 (0.38) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL5216794 0.76 GAA (0.38) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL5213565 0.72
SCHEMBL5674009 0.72
SCHEMBL811725 0.65 TP53 (0.41) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL3027900 0.64 GAA (0.38) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL11078634 0.63 GLA (0.38) ADORA1ADORA3ADORA2AALK
SCHEMBL4352906 0.63 GLA (0.38) ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142879-B1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed