SCHEMBL7213440

SCHEMBL7213440

N#Cc1cnc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.56
KDM1A O60341 2/20 0.51
MAOB P27338 1/20 0.51
METAP2 P50579 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.47
EP300 Q09472 1/20 0.46
CYP19A1 P11511 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
MET P08581 1/20 0.40

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
SCHEMBL3838001 0.91 AKT1 (0.53) AKT1KDM1AMAOBMETAP2ADORA2A
SCHEMBL3837608 0.87 AKT1 (0.58) AKT1KDM1AMAOBMETAP2PTGDR2
SCHEMBL1939360 0.87 AKT1 (0.53) AKT1KDM1AMAOBMETAP2PTGDR2
SCHEMBL30656042 0.82 ADORA2A (0.50) AKT1KDM1AMAOBADORA2AADORA1
SCHEMBL14430129 0.81 KDM1A (0.54) AKT1KDM1AMAOBMETAP2CYP11B2
SCHEMBL27452007 0.81 CYP11B1 (0.42) AKT1ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL1940329 0.81 PTGDR2 (0.49) AKT1METAP2PTGDR2CYP19A1ADORA1
SCHEMBL5904305 0.79 KDM1A (0.59) AKT1KDM1AMAOBADORA1
SCHEMBL1939088 0.78 AKT1 (0.64) AKT1KDM1AMAOB
SCHEMBL1652625 0.78 AKT1 (0.66) AKT1KDM1AMAOB

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
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed