SCHEMBL3988558

SCHEMBL3988558

COc1ccc(Nc2cc(Cl)nc(Cl)n2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
POLB P06746 3/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX5 P09917 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.45
AGPAT2 O15120 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
POLA1 P09884 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PIM1 P11309 1/20 0.43
EGFR P00533 2/20 0.43
FLT3 P36888 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL31484102 0.82 MAPT (0.55) MAPTPOLBGAAALOX5ABCG2
SCHEMBL6977133 0.81 MAPT (0.57) MAPTALOX5ABCG2NPC1RAB9A
SCHEMBL13326018 0.80 MAPT (0.59) MAPTGAASMN1; SMN2ALOX5ABCG2
SCHEMBL30574121 0.79 MAPT (0.62) MAPTALOX5
SCHEMBL30306470 0.77 BRD4 (0.57) MAPTPOLBGAASMN1; SMN2ABCG2
SCHEMBL855547 0.77 MAPT (0.48) MAPTPOLBGAASMN1; SMN2NPC1
SCHEMBL17526103 0.77 BRD4 (0.57) MAPTPOLBGAASMN1; SMN2ABCG2
SCHEMBL6352558 0.76 POLA1 (0.71) MAPTPOLBGAASMN1; SMN2AGPAT2
SCHEMBL9870182 0.76 MAPT (0.49) MAPTPOLBGAASMN1; SMN2AGPAT2
SCHEMBL19690974 0.75 MAPT (0.52) MAPTPOLBGAASMN1; SMN2ALOX5

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-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO disclosed