SCHEMBL1084609

SCHEMBL1084609

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
GAA P10253 1/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 4/20 0.48
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TSHR P16473 4/20 0.43
POLB P06746 3/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GBA1 P04062 1/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
ACP1 P24666 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 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
SCHEMBL1084573 0.93 MAPT (0.54) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084271 0.90 MAPT (0.55) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084047 0.89 LMNA (0.50) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084209 0.87 LMNA (0.53) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084146 0.84 PDE10A (0.47) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084380 0.83 LMNA (0.45) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084214 0.82 MAPT (0.56) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084369 0.82 MAPT (0.48) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084404 0.82 MAPT (0.44) MAPTGAAHIF1ALMNAMEN1
SCHEMBL1084203 0.81 MEN1 (0.53) MAPTGAAHIF1ALMNAMEN1

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-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 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