SCHEMBL8312573

SCHEMBL8312573

c1nc(NC2CCCCCC2)c2cc(NCCCN3CCCC3)ncc2n1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM1 Q13255 1/20 0.45

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
SCHEMBL8312604 0.85 EGFR (0.61) EGFRMEN1KMT2A
SCHEMBL8306177 0.84 GRM1 (0.55) EGFRGRM1
SCHEMBL8313080 0.83 EGFR (0.61) EGFRMEN1
SCHEMBL8306375 0.82 GRM1 (0.49) GRM1
SCHEMBL8308039 0.82 EGFR (0.57) EGFRGRM1
SCHEMBL8308420 0.82 EGFR (0.57) EGFRGRM1
SCHEMBL8312990 0.81 MEN1 (0.44) MEN1KMT2AGRM1
SCHEMBL8308696 0.81 EGFR (0.58) EGFRGRM1
SCHEMBL6369264 0.77 GRM1 (0.45) GRM1
SCHEMBL6363927 0.75 AURKA (0.49)

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-2005016925-A1 AZAQUINAZOLINE DERIVATIVES PFIZER LIMITED (GB) 2005-02-24 WO disclosed