SCHEMBL11511523

SCHEMBL11511523

Cc1nnc2ncc(-c3cccc(F)c3)nn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.47
MET P08581 3/20 0.47
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL4497709 0.83 MET (0.50) FYNMETBCHEACHE
SCHEMBL11512159 0.83 FYN (0.47) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL19903831 0.83 FYN (0.49) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL11509322 0.83 KDM4E (0.65) FYNMETKDM4EHSD17B10CYP1A2
SCHEMBL11511075 0.82 MET (0.62) FYNMET
SCHEMBL11628686 0.77 KDM4E (0.69) FYNKDM4EHSD17B10CYP1A2ALDH1A1
SCHEMBL11510866 0.74 MET (0.40) METGABRG2GABRB3GABRA5GABRA3
SCHEMBL4513520 0.71 MET (0.55) MET
SCHEMBL23535571 0.70 FYN (0.64) FYN
SCHEMBL11387329 0.69 PIM1 (0.43) KDM4EHSD17B10CYP1A2ALDH1A1CYP3A4

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
US-4159375-A 6- AND 7-Aryl-1,2,4-triazolo[4,3-b]-1,2,4-triazines AMERICAN CYANAMID COMPANY (US) 1979-06-26 US claimed