SCHEMBL3946040

SCHEMBL3946040

COC(CN)c1ncc(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35

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
Hydrochloric Acid SCHEMBL4971812 0.98 AOC3 (0.34) AOC3
SCHEMBL19551100 0.82 AOC3 (0.33) AOC3
SCHEMBL3937910 0.81 AOC3 (0.32) AOC3
SCHEMBL4025184 0.78 APLNR (0.43) AOC3
Hydrochloric Acid SCHEMBL4974167 0.77 APLNR (0.42) AOC3
SCHEMBL1395922 0.75 TAAR1 (0.33) AOC3
Hydrochloric Acid SCHEMBL4974376 0.74 TAAR1 (0.32) AOC3
SCHEMBL18428175 0.69 APLNR (0.34)
SCHEMBL3946038 0.69 APLNR (0.33)
SCHEMBL12454628 0.68 AOC3 (0.62) AOC3

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
WO-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed