SCHEMBL1084759

SCHEMBL1084759

Cc1ccc2c(N3CCCC4CCCCC43)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMAD3 P84022 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CHEK2 O96017 2/20 0.45
LMNA P02545 4/20 0.44
HIF1A Q16665 2/20 0.44
NR1I2 O75469 3/20 0.43
SMARCA2 P51531 3/20 0.43
SMARCA4 P51532 3/20 0.43
PBRM1 Q86U86 3/20 0.43
NR1H2 P55055 2/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSP90AA1 P07900 1/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL1084253 0.85 MAPT (0.56) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084077 0.85 SMAD3 (0.47) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084457 0.85 SMAD3 (0.49) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1083968 0.85 NR1I2 (0.49) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084230 0.84 MAPT (0.60) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084667 0.83 MAPT (0.50) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084498 0.83 MAPT (0.48) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084587 0.83 CHEK2 (0.56) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084211 0.83 CHEK2 (0.56) MAPTL3MBTL1KDM4ESMAD3KMT2A
SCHEMBL1084753 0.82 MAPT (0.51) MAPTL3MBTL1KDM4ESMAD3KMT2A

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-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