SCHEMBL1084690

SCHEMBL1084690

COc1ccc(CC2CCCN2c2nc(-c3ccccc3O)nc3cc(C)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HIF1A Q16665 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.47
DYRK1A Q13627 1/20 0.45
CHEK2 O96017 4/20 0.42
CHEK1 O14757 2/20 0.42
LMNA P02545 2/20 0.42
GBA1 P04062 1/20 0.42
KMT2A Q03164 4/20 0.42
ACVR1 Q04771 1/20 0.40
SMAD3 P84022 1/20 0.40
MEN1 O00255 3/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL1084083 0.91 GBA1 (0.50) MAPTHIF1AL3MBTL1HTTDYRK1A
SCHEMBL1084025 0.91 MAPT (0.47) MAPTHIF1AL3MBTL1HTTDYRK1A
SCHEMBL1084675 0.86 MAPT (0.49) MAPTHIF1AL3MBTL1HTTCHEK2
SCHEMBL1084732 0.86 MAPT (0.49) MAPTHIF1AL3MBTL1HTTDYRK1A
SCHEMBL1084468 0.85 KMT2A (0.46) MAPTHIF1AL3MBTL1HTTDYRK1A
SCHEMBL1084696 0.85 MAPT (0.44) MAPTHIF1AL3MBTL1HTTCHEK2
SCHEMBL1084253 0.85 MAPT (0.56) MAPTHIF1AL3MBTL1HTTCHEK2
SCHEMBL1084417 0.83 MAPT (0.51) MAPTHIF1AL3MBTL1HTTCHEK2
SCHEMBL1084723 0.83 MAPT (0.53) MAPTHIF1AL3MBTL1HTTCHEK2
SCHEMBL1084498 0.83 MAPT (0.48) MAPTHIF1AL3MBTL1HTTCHEK2

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 6 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-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