SCHEMBL1084233

SCHEMBL1084233

CCC1CCCCN1c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
HIF1A Q16665 3/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
SMAD3 P84022 1/20 0.47
LMNA P02545 3/20 0.46
CHEK2 O96017 4/20 0.46
NR1I2 O75469 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
PBRM1 Q86U86 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPY5R Q15761 1/20 0.43
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL1084208 0.97 MAPT (0.58) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084195 0.90 MAPT (0.54) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084238 0.90 MAPT (0.49) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084488 0.88 MAPT (0.53) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084275 0.88 FLT3 (0.49) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084560 0.87 MAPT (0.51) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084607 0.87 MAPT (0.51) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084212 0.87 MAPT (0.47) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084615 0.86 GBA1 (0.48) MAPTL3MBTL1HIF1AHTTALDH1A1
SCHEMBL1084230 0.83 MAPT (0.60) MAPTL3MBTL1HIF1AHTTALDH1A1

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 8 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-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