SCHEMBL4780898

SCHEMBL4780898

Cn1ccc(Nc2nc(NC3CC3)c3cc(-c4ccc(F)cc4)ccc3n2)n1.Fc1ccc(-c2ccc3nc(-c4ccn[nH]4)nc(NC4CC4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPR1 P16066 15/20 0.43
IRAK4 Q9NWZ3 2/20 0.41
MERTK Q12866 1/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
EGLN1 Q9GZT9 1/20 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
SCHEMBL4363108 0.89 NPR1 (0.51) NPR1IRAK4MERTK
SCHEMBL4356115 0.84 CHEK1 (0.47) NPR1IRAK4CHEK1CHEK2EGLN1
SCHEMBL18041181 0.74 CHEK1 (0.42) NPR1IRAK4CHEK1CHEK2EGLN1
SCHEMBL4349736 0.68 NPR1 (0.56) NPR1
SCHEMBL17269254 0.67 IRAK4 (0.59) IRAK4
SCHEMBL4367767 0.66 JAK2 (0.45) NPR1IRAK4EGLN1
SCHEMBL4352010 0.65 GABBR2 (0.68) NPR1IRAK4EGLN1
SCHEMBL4363691 0.65 GABBR2 (0.50) NPR1IRAK4EGLN1
SCHEMBL4367513 0.64 NPR1 (0.55) NPR1MERTK
SCHEMBL4349987 0.64 NPR1 (0.54) NPR1MERTK

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-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed