SCHEMBL1084232

SCHEMBL1084232

CCCCCN(C)c1nc(-c2ccccc2O)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
TSHR P16473 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.52
CHEK2 O96017 1/20 0.51
GBA1 P04062 5/20 0.50
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46
LATS1 O95835 1/20 0.46

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
SCHEMBL1084280 0.86 TDP1 (0.62) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1084248 0.86 CHEK2 (0.54) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1084412 0.86 TSHR (0.58) MAPTTSHRMEN1KMT2APOLB
SCHEMBL8230598 0.85 GBA1 (0.55) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1084373 0.84 LMNA (0.51) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1083913 0.83 CHEK2 (0.51) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1084139 0.83 LMNA (0.47) MAPTTSHRMEN1KMT2APOLB
SCHEMBL4090410 0.81 MAPT (0.61) MAPTTSHRMEN1KMT2ALMNA
SCHEMBL1084012 0.81 PDE5A (0.69) MAPTTSHRMEN1KMT2APOLB
SCHEMBL1083829 0.80 CYP2D6 (0.70) MAPTTSHRMEN1KMT2APOLB

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