SCHEMBL1084573

SCHEMBL1084573

CCCN(CCOC)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
NPC1 O15118 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 4/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GBA1 P04062 1/20 0.41
ATM Q13315 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL1084609 0.93 MAPT (0.50) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084214 0.90 MAPT (0.56) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084271 0.89 MAPT (0.55) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084540 0.84 MAPT (0.49) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084862 0.82 MAPT (0.49) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084047 0.82 LMNA (0.50) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084139 0.80 LMNA (0.47) MAPTMEN1KMT2ALMNATSHR
SCHEMBL1084604 0.80 MAPT (0.46) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084209 0.80 LMNA (0.53) MAPTGAAHIF1AMEN1KMT2A
SCHEMBL1084146 0.79 PDE10A (0.47) MAPTGAAHIF1AMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed