SCHEMBL8312424

SCHEMBL8312424

CN(C)CCCNc1cc2c(NC3CCC(C)(C)CC3)ncnc2cn1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
GRM1 Q13255 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL8311428 0.97 EGFR (0.56) EGFRGRM1
SCHEMBL8308039 0.89 EGFR (0.57) EGFRGRM1
SCHEMBL8308420 0.89 EGFR (0.57) EGFRGRM1
SCHEMBL8312428 0.88 EGFR (0.56) EGFRGRM1IRAK4
SCHEMBL8308696 0.86 EGFR (0.58) EGFRGRM1
SCHEMBL8306177 0.77 GRM1 (0.55) EGFRGRM1
SCHEMBL6363835 0.75 IRAK4 (0.49) EGFRIRAK4
SCHEMBL8306375 0.72 GRM1 (0.49) GRM1
SCHEMBL8312573 0.72 EGFR (0.52) EGFRGRM1
SCHEMBL6368444 0.71 IRAK4 (0.45) EGFRIRAK4

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